Willett, Peter, Professor

Professor Peter Willett

MA (Oxford), MSc (91ֱ��), PhD (91ֱ��), DSc (91ֱ��)

Information School

Professor Emeritus

p.willett@sheffield.ac.uk

The Wave

Full contact details

Professor Peter Willett
Information School
The Wave
2 Whitham Road
91ֱ��
S10 2AH

Profile: I obtained an MA in Natural Sciences (Chemistry) from Oxford University, following which I came to the Postgraduate School of Librarianship and Information Science (as it was then called) at the University of 91ֱ�� in 1975 to study for an MSc in Information Science. Following that, a PhD on the indexing of chemical reactions and post-doctoral work on the automatic classification of document databases, I was appointed to a lecturership in 1979. I was awarded a personal chair in 1991 and a DSc in 1997 and spent my entire professional career here in the School, retiring in December 2019 as Professor Emeritus.

Research interests

My research focused principally on the development of novel techniques for a range of important applications in chemoinformatics, but I also made significant contributions to information retrieval and to bibliometrics. Many algorithms originally developed in my research group are embodied in operational chemoinformatics software that is in use throughout the world, with the GOLD, GASP and GALAHAD programs for ligand-protein docking and pharmacophore mapping being widely distributed on a commercial basis.

My research has been reported in over 550 articles, books, chapters, reports etc. that have attracted over 36000 citations in Google Scholar (h-index of 86). I supervised over 70 successful PhD studentships and was awarded 91 research grants and contracts to a total value of ca. £6.5M. Much of this work was supported by industry, the collaborations involving GlaxoSmithKline, Johnson and Johnson, Eli Lilly, Novartis, Pfizer, Syngenta and Unilever inter alia.

Publications

Books

Chowdhury G, Gillet V, McLeod J & Willett P (2018) Preface.

Journal articles

Willett P (2024) . Journal of Cheminformatics, 16(1), 120.
Lin A, Ford N & Willett P (2024) . Health Informatics Journal, 30(2).
Willett P (2022) . Journal of Molecular Graphics and Modelling, 117.
Willett P (2022) . Journal of Cheminformatics, 14.
Willett P, Cole JC & Bruno IJ (2020) . CrystEngComm, 22(43), 7233-7241.
Willett P (2020) . International Journal of Molecular Sciences, 21(15).
Chauhan V & Willett P (2019) . Global Knowledge, Memory and Communication.
Wakeling S, Creaser C, Pinfield S, Fry J, Spezi V, Willett P & Paramita M (2019) . Journal of the Association for Information Science and Technology, 70(7), 754-768.
Wakeling S, Spezi V, Fry J, Creaser C, Pinfield S & Willett P (2019) . Journal of Documentation, 75(1), 120-139.
Wakeling S, Willett P, Creaser C, Fry J, Pinfield S, Spezi V, Bonne M, Founti CM & Medina Perea I (2019) . Journal of Information Science.
Hu Z, Lin A & Willett P (2019) . Scientometrics, 118(1), 1-19.
Duesbury E, Holliday J & Willett P (2018) . ChemMedChem, 13(6), 588-598.
Mazalan L, Bell AJ, Sbaffi L & Willett P (2018) . ChemMedChem, 13(6), 582-587.
Spezi V, Wakeling S, Pinfield S, Creaser C, Fry J & Willett P (2018) . Journal of Documentation, 74(1), 137-161.
Holliday J, Sani N & Willett P (2018) Ligand-based virtual screening using a genetic algorithm with data fusion. Match: Communications in Mathematical and in Computer Chemistry, 80(3), 623-638.
Al Motawah W, Sen B & Willett P (2018) The role of Kuwait University libraries in supporting graduate students' research. QUALITATIVE & QUANTITATIVE METHODS IN LIBRARIES, 7(1), 67-76.
Wakeling S, Spezi V, Fry J, Creaser C, Pinfield S & Willett P (2017) . Learned Publishing, 30(4), 301-311.
Wakeling S, Spezi V, Creaser C, Fry J, Pinfield S & Willett P (2017) . Learned Publishing, 30(4), 313-322.
Egberongbe H, Sen B & Willett P (2017) . Library Review, 66(6/7), 399-414.
Jackson T & Willett P (2017) . Aslib Journal of Information Management, 69(3).
Taylor L & Willett P (2017) . Aslib Journal of Information Management, 69(3), 354-367.
Wakeling S, Willett P, Creaser C, Fry J, Pinfield S & Spezi V (2017) . Publications, 5(2).
Willett P & Restrepo G (2017) . Journal of Mathematical Chemistry.
Spezi V, Wakeling S, Pinfield S, Creaser C, Fry J & Willett P (2017) . Journal of Documentation, 73(2), 263-283.
Franco P, Porta N, Holliday J & Willett P (2017) . Drug Discovery Today, 22(2), 377-381.
Willett P (2017) Maximum Common Subgraph Isomorphism Algorithms. MATCH Communications in Mathematical and in Computer Chemistry, 77(2), 213-232.
Willett P & Restrepo G (2017) A Bibliometric Profile of MATCH Communications in Mathematical and in Computer Chemistry. Match, 77(2), 235-242.
Wakeling S, Willett P, Creaser C, Fry J, Pinfield S & Spezi V (2016) . PLoS One, 11(11).
Willett P (2016) . Molecules, 21(4), 535-535.
Gillet VJ, Holliday JD & Willett P (2015) . Molecular Informatics, 34(9), 598-607.
Willett P (2015) . Aslib Journal of Information Management, 67(5), 526-541.
Duesbury E, Holliday J & Willett P (2015) . Journal of Chemical Information and Modeling, 55(2), 222-230.
Holliday JD, Sani N & Willett P (2015) . Journal of Chemical Information and Modeling, 55(2), 214-221.
Martindale G, Willett P & Jones R (2015) . Library Review, 64(1/2), 2-20.
T. Benson M & Willett P (2014) . Journal of Documentation, 70(6), 1141-1158.
Firdaus-Raih M, Hamdani HY, Nadzirin N, Ramlan EI, Willett P & Artymiuk PJ (2014) . Nucleic Acids Res, 42(Web Server issue), W382-W388.
Franco P, Porta N, Holliday JD & Willett P (2014) . Journal of Cheminformatics, 6(1).
Willett P (2014) . Molecular Informatics.
Xie Z & Willett P (2013) . Information Development, 29(3), 251-264.
Nadzirin N, Willett P, Artymiuk PJ & Firdaus-Raih M (2013) . Nucleic acids research, 41(Web Server issue).
Arif SM, Holliday JD & Willett P (2013) . Journal of Information Science, 39(1), 7-14.
Hessey R & Willett P (2013) . Journal of Information Science, 39(1), 141-150.
Willett P (2013) . Journal of Information Science, 39(1), 3-6.
Read S, Bath PA, Willett P & Maheswaran R (2013) . Journal of Information Science, 39(1), 36-47.
Read S, Bath PA, Willett P & Maheswaran R (2013) . Statistics in Medicine, 32(19), 3300-3313.
Willett P (2013) . Journal of Chemical Information and Modeling, 53(1), 1-10.
Pasupa K, Hussain Z, Shawe-Taylor J & Willett P (2013) . 13th IEEE International Conference on BioInformatics and BioEngineering, IEEE BIBE 2013.
Willett P (2013) . Comput Struct Biotechnol J, 5, e201302002.
Willett P (2013) . Journal of Documentation, 69(1), 145-156.
Holliday JD, Willett P & Xiang H (2012) . International Journal of Chemoinformatics and Chemical Engineering, 2(2), 28-41.
Todeschini R, Consonni V, Xiang H, Holliday J, Buscema M & Willett P (2012) . Journal of Chemical Information and Modeling, 52(11), 2884-2901.
Hamdani HY, Appasamy SD, Willett P, Artymiuk PJ & Firdaus-Raih M (2012) . Nucleic Acids Research, 40(W1).
Nadzirin N, Gardiner EJ, Willett P, Artymiuk PJ & Firdaus-Raih M (2012) . Nucleic Acids Research, 40(W1).
Chu CW, Holliday JD & Willett P (2012) . Bioorganic and Medicinal Chemistry, 20(18), 5366-5371.
Willett P (2011) . Computational Approaches in Cheminformatics and Bioinformatics.
Holliday JD, Kanoulas E, Malim N & Willett P (2011) . Journal of Cheminformatics, 3(8).
Bajorath J, Barreca ML, Bender A, Bryce R, Hutter M, Laggner C, Laughton C, Martin Y, Mitchell J, Padova A , Renner S et al (2011) . Future Medicinal Chemistry, 3(8), 909-921.
Gardiner EJ, Holliday JD, O'Dowd C & Willett P (2011) . Future Medicinal Chemistry, 3(4), 405-414.
Li J & Willett P (2011) . Journal of Chemical Information and Modeling, 51(1), 3.
Firdaus-Raih M, Harrison AM, Willett P & Artymiuk PJ (2011) . BMC Bioinformatics, 12(SUPPL. 13).
Willett P (2011) . Wiley Interdisciplinary Reviews: Data Mining and Knowledge Discovery, 1(3), 241-251.
Willett P (2011) The Journal of Computer-Aided Molecular Design: a bibliometric note. Journal of Computer-Aided Molecular Design, 1-5.
Willett P & Broadley R (2011) . Library Review, 60(8), 658-670.
Brackenbury HL & Willett P (2011) . Library Management, 32, 237-250.
Willett P (2011) . Wiley Interdisciplinary Reviews: Computational Molecular Science, 1(1), 46-56.
Willett P (2011) The Information School at 91ֱ��. Aslib Proceedings, 63(2-3), 125-126.
Bakri A & Willett P (2011) . Aslib Proceedings: New Information Perspectives, 63(2-3), 321-335.
Read S, Bath P, Willett P & Maheswaran R (2011) . Spatial and Spatio-temporal Epidemiology, 2(2), 69-78.
Zhu Q & Willett P (2011) . Aslib Proceedings: New Information Perspectives, 63(1), 101-119.
Willett P (2011) Similarity searching using 2D structural fingerprints.. Methods in molecular biology (Clifton, N.J.), 672, 133-158.
Jishi RA & Willett P (2010) . Journal of Chemical Information and Modeling, 50(11), 1915-1923.
Papadatos G, Alkarouri M, Gillet VJ, Willett P, Kadirkamanathan V, Luscombe CN, Bravi G, Richmond NJ, Pickett SD, Hussain J , Pritchard JM et al (2010) . Journal of Chemical Information and Modeling, 50(10), 1872-1886.
Willett P, Arif S, Holliday J, Malim N & Mueller C (2010) Weighting and fusion methods for similarity-based virtual screening. Abstracts of Papers of the American Chemical Society, 240.
Wong R, Allen FH & Willett P (2010) . Journal of Applied Crystallography, 43(4), 811-824.
Arif SM, Holliday JD & Willett P (2010) . Journal of Chemical Information and Modeling, 50(8), 1340-1349.
Chen B, Mueller C & Willett P (2010) . Molecular Informatics, 29(6-7), 533-541.
Abdo A, Chen B, Mueller C, Salim N & Willett P (2010) . Journal of Chemical Information and Modeling, 50(6), 1012-1020.
Whittle M, Gillet VJ & Willett P (2010) , 46-59.
Read S, Bath P, Willett P & Maheswaran R (2010) . Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 6277 LNAI(PART 2), 163-172.
Li J, Sanderson M, Willett P, Norris M & Oppenheim C (2010) . Journal of Informetrics, 4(4), 554-563.
Li J & Willett P (2010) . Journal of Chemical Information and Modeling, 50(1), 22-29.
Willett P (2009) . QSAR and Combinatorial Science, 28(11-12), 1231-1236.
Varin T, Bureau R, Mueller C & Willett P (2009) . Journal of Molecular Graphics and Modelling, 28(2), 187-195.
Arif SM, Holliday JD & Willett P (2009) . Journal of Computer-Aided Molecular Design, 23(9), 655-668.
Bakri A & Willett P (2009) The Malaysian Journal of Computer Science: A bibliometric study. Malaysian Journal of Library and Information Science, 14(2), 39-49.
Birchall K, Gillet VJ, Willett P, Ducrot P & Luttmann C (2009) . Journal of Chemical Information and Modeling, 49(6), 1330-1346.
Arakaki M & Willett P (2009) . Journal of Information Science, 35(2), 143-152.
Gardiner EJ, Hunter CA & Willett P (2009) . Algorithms, 2(1), 448-469.
Chu CW, Holliday JD & Willett P (2009) . Journal of Chemical Information and Modeling, 49(2), 155-161.
Papadatos G, Cooper AW, Kadirkamanathan V, Macdonald SJ, McLay IM, Pickett SD, Pritchard JM, Willett P & Gillet VJ (2009) . Journal of Chemical Information and Modeling, 49(2), 195-208.
Gardiner EJ, Gillet VJ, Haranczyk M, Hert J, Holliday JD, Malim N, Patel Y & Willett P (2009) . Statistical Analysis and Data Mining, 2(2), 103-114.
Li J & Willett P (2009) . Aslib Proceedings: New Information Perspectives, 61(6), 605-618.
Willett P (2009) . Annual Review of Information Science and Technology, 43, 1-117.
Chen B, Mueller C & Willett P (2009) . Journal of Cheminformatics, 1(1).
Maheswaran R, Craigs C, Read S, Bath PA & Willett P (2009) . International Journal of Health Geographics, 8(1).
Patel Y, Gillet VJ, Willett P, Howe T, Pastor J & Oyarzabal J (2008) . Journal of Medicinal Chemistry, 51(23), 7552-7562.
Willett P (2008) . Journal of Information Science, 34(4), 477-499.
Bakri A & Willett P (2008) The Malaysian Journal of Library and Information Science 2001-2006: A bibliometric study. Malaysian Journal of Library and Information Science, 13(1), 103-116.
Haranczyk M, Holliday J, Willett P & Gutowski M (2008) . Journal of Computational Chemistry, 29(8), 1277-1291.
Holliday JD & Willett P (2008) The influence of the DARC project on chemoinformatics research at the University of 91ֱ��. Actualite Chimique(320-321), 45-50.
Willett P (2008) . Aslib Proceedings, 60(1), 4-17.
Willett P (2007) . Journal of Molecular Graphics and Modelling, 26(3), 602-606.
Willett P & Robertson S (2007) . Journal of Documentation, 63(5).
Willett P, Wilton D, Hartzoulakis B, Tang R, Ford J & Madge D (2007) . Journal of Chemical Information and Modeling, 47(5), 1961-1966.
Gardiner EJ, Gillet VJ, Willett P & Cosgrove David A. CDA (2007) . ChemInform, 38(24).
Willett P (2007) . ChemInform, 38(15).
Willett P (2007) Bibliometric analysis of chemoinformatics. Abstracts of Papers of the American Chemical Society, 233.
Gardiner EJ, Gillet VJ, Willett P & Cosgrove DA (2007) . Journal of Chemical Information and Modeling, 47(2), 354-366.
Willett P & Robertson S (2007) . Journal of Information Science, 33, 637-639.
Stouch T & Willett P (2007) . Journal of Computer-Aided Molecular Design, 21(1-3), 1-2.
Chen B, Harrison RF, Papadatos G, Willett P, Wood DJ, Lewell XQ, Greenidge P & Stiefl N (2007) . Journal of Computer-Aided Molecular Design, 21(1-3), 53-62.
Willett P (2006) . QSAR and Combinatorial Science, 25(12), 1143-1152.
Willett P (2006) . Drug Discovery Today, 11(23-24), 1046-1053.
Whittle M, Gillet VJ, Willett P & Loesel J (2006) . Journal of Chemical Information and Modeling, 46(6), 2206-2219.
Whittle M, Gillet VJ, Willett P & Loesel J (2006) . Journal of Chemical Information and Modeling, 46(6), 2193-2205.
Bohl M, Loeprecht B, Wendt B, Heritage T, Richmond NJ & Willett P (2006) . Journal of Chemical Information and Modeling, 46(5), 1882-1890.
Hert J, Wilton DJ & Willett P (2006) Methods to enhance the perfomance of similarity searching. Abstracts of Papers of the American Chemical Society, 232, 349-349.
Gardiner EJ, Cosgrove DA, Willett P & Gillet VJ (2006) Cluster representation using reduced graphs. Abstracts of Papers of the American Chemical Society, 232, 181-181.
Richmond NJ, Abrams CA, Wolohan PRN, Abrahamian E, Willett P & Clark RD (2006) . Journal of Computer-Aided Molecular Design, 20(9), 567-587.
Gillet VJ & Willett P (2006) , 187-208.
Kennewell EA, Willett P, Ducrot P & Luttmann C (2006) . Journal of Computer-Aided Molecular Design, 20(6), 385-394.
Mirons L, Gardiner EJ, Hunter CA & Willett P (2006) . Journal of Chemical Information and Modeling, 46(2), 743-752.
Gardiner EJ, Hirons L, Hunter CA & Willett P (2006) . Journal of Chemical Information and Modeling, 46(2), 753-761.
Barker EJ, Buttar D, Cosgrove DA, Gardiner EJ, Kitts P, Willett P & Gillet VJ (2006) . Journal of Chemical Information and Modeling, 46(2), 503-511.
Rhodes N, Clark DE & Willett P (2006) . Journal of Chemical Information and Modeling, 46(2), 615-619.
Mpamhanga CP, Chen B, McLay IM & Willett P (2006) . Journal of Chemical Information and Modeling, 46(2), 686-698.
Wilton DJ, Harrison RF, Willett P, Delaney J, Lawson K & Mullier G (2006) . Journal of Chemical Information and Modeling, 46(2), 471-477.
Chen B, Harrison RF, Pasupa K, Willett P, Wilton DJ, Wood DJ & Lewell XQ (2006) . Journal of Chemical Information and Modeling, 46(2), 478-486.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2006) . Journal of Chemical Information and Modeling, 46(2), 462-470.
Peñas CS & Willett P (2006) . Journal of Information Science, 32(5), 480-485.
Willett P (2006) . Program, 40(3), 219-223.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2005) . Journal of Medicinal Chemistry, 48(22), 7049-7054.
Bath PA, Craigs C, Maheswaran R, Raymond J & Willett P (2005) . Journal of the American Medical Informatics Association, 12(6), 630-641.
Chen B, Harrison RF, Hert J, Mpanhanga C, Willett P & Wilton DJ (2005) . Molecular Simulation, 31(8), 597-604.
Hirons L, Holliday JD, Jelfs SP, Willett P & Gedeck P (2005) . QSAR and Combinatorial Science, 24(5), 611-619.
Willett P (2005) . Journal of Medicinal Chemistry, 48(13), 4183-4199.
Bayley MJ, Gardiner EJ, Willett P & Artymiuk PJ (2005) . Journal of Chemical Information and Modeling, 45(3), 696-707.
Artymiuk PJ, Spriggs RV & Willett P (2005) . Journal of the American Society for Information Science and Technology, 56(5), 518-528.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2004) . Organic and Biomolecular Chemistry, 2(22), 3256-3266.
Gardiner EJ, Hunter CA, Lu XJ & Willett P (2004) . Journal of Molecular Biology, 343(4), 879-889.
Richmond NJ, Willett P & Clark RD (2004) . Journal of Molecular Graphics and Modelling, 23(2), 199-209.
Whittle M, Gillet VJ, Willett P, Alex A & Loesel J (2004) . Journal of Chemical Information and Computer Sciences, 44(5), 1840-1848.
Holliday JD, Rodgers SL, Willett P, Chen M-Y, Mahfouf M, Lawson K & Mullier G (2004) . ChemInform, 35(30).
Holliday JD, Rodgers SL, Willett P, Chen MY, Mahfouf M, Lawson K & Mullier G (2004) . Journal of Chemical Information and Computer Sciences, 44(3), 894-902.
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2004) . Journal of Chemical Information and Computer Sciences, 44(3), 1177-1185.
Willett P (2004) . Methods in molecular biology (Clifton, N.J.), 275, 51-64.
Gardiner EJ, Hunter CA, Packer MJ, Palmer DS & Willett P (2003) . Journal of Molecular Biology, 332(5), 1025-1035.
Harrison AM, South DR, Willett P & Artymiuk PJ (2003) . Journal of Computer-Aided Molecular Design, 17(8), 537-549.
Gardiner EJ, Willett P & Artymiuk PJ (2003) . Proteins: Structure, Function and Genetics, 52(1), 10-14.
Willett P (2003) . Biochemical Society Transactions, 31(3), 603-606.
Spriggs RV, Artymiuk PJ & Willett P (2003) . ChemInform, 34(21).
Gillet VJ, Willett P & Bradshaw J (2003) . ChemInform, 34(21).
Holliday JS, Jelfs SP, Willett P & Gedeck P (2003) . ChemInform, 34(21).
Brown N, Willett P, Wilton DJ & Lewis RA (2003) . ChemInform, 34(18).
Raymond JW & Willett P (2003) . Journal of Chemical Information and Computer Sciences, 43(3), 908-916.
Holliday JD, Salim N, Whittle M & Willett P (2003) . Journal of Chemical Information and Computer Sciences, 43(3), 819-828.
Raymond JW, Blankley CJ & Willett P (2003) . Journal of Molecular Graphics and Modelling, 21(5), 421-433.
Wilton D, Willett P, Lawson K & Mullier G (2003) . Journal of Chemical Information and Computer Sciences, 43(2), 469-474.
Rhodes N, Willett P, Calvet A, Dunbar JB & Humblet C (2003) . Journal of Chemical Information and Computer Sciences, 43(2), 443-448.
Whittle M, Willett P, Klaffke W & Van Noort P (2003) . Journal of Chemical Information and Computer Sciences, 43(2), 449-457.
Holliday JD, Jelfs SP, Willett P & Gedeck P (2003) . Journal of Chemical Information and Computer Sciences, 43(2), 406-411.
Willett P, Spriggs RV & Artymiuk PJ (2003) . Journal of Chemical Information and Computer Sciences, 43(2), 412-421.
Salim N, Holliday J & Willett P (2003) . Journal of Chemical Information and Computer Sciences, 43(2), 435-442.
Gillet VJ, Willett P & Bradshaw J (2003) . Journal of Chemical Information and Computer Sciences, 43(2), 338-345.
Raymond JW & Willett P (2003) A line graph algorithm for clustering chemical structures based on common substructural cores. Match(48), 197-207.
Brown N, Willett P, Wilton DJ & Lewis RA (2003) . Journal of Chemical Information and Computer Sciences, 43(1), 288-297.
Alemayehu N & Willett P (2003) . Program, 37(4), 254-259.
Bishop N, Gillet VJ, Holliday JD & Willett P (2003) . Journal of Information Science, 29(4), 249-267.
Gaizauskas R, Demetriou G, Artymiuk PJ & Willett P (2003) . Bioinformatics, 19(1), 135-143.
Ashton M, Barnard J, Casset F, Charlton M, Downs G, Gorse D, Holliday J, Lahana R & Willett P (2002) . Quantitative Structure-Activity Relationships, 21(6), 598-604.
Bohl M, Dunbar J, Gifford EM, Heritage T, Wild DJ, Willett P & Wilton DJ (2002) . Quantitative Structure-Activity Relationships, 21(6), 590-597.
Raymond JW & Willett P (2002) . Journal of Computer-Aided Molecular Design, 16(7), 521-533.
Gillet VJ, Willett P, Fleming PJ & Green DVS (2002) . Journal of Molecular Graphics and Modelling, 20(6), 491-498.
Raymond JW, Gardiner EJ & Willett P (2002) . Journal of Chemical Information and Computer Sciences, 42(2), 305-316.
Gillet VJ, Khatib W, Willett P, Fleming PJ & Green DVS (2002) . Journal of Chemical Information and Computer Sciences, 42(2), 375-385.
Holliday JD, Hu CY & Willett P (2002) . Combinatorial Chemistry and High Throughput Screening, 5(2), 155-166.
Alemayehu N (2002) . Literary and Linguistic Computing, 17(1), 1-17.
Bath PA, Craigs C, Maheswaran R, Raymond J & Willett P (2002) . Health Informatics Journal, 8(4), 167-173.
Gillet VJ & Willett P (2002) . Pharmacochemistry Library, 32(C), 125-133.
Willett P (2002) Combinatorial libraries and the evaluation of diversity. Pharmaceutical News, 9(3), 189-194.
Nakayama SI & Willett P (2002) . Journal of Molecular Modeling, 8(6), 199-207.
Raymond JW, Gardiner EJ & Willett P (2002) . Computer Journal, 45(6), 631-644.
Raymond JW & Willett P (2002) . Journal of Computer-Aided Molecular Design, 16(1), 59-71.
Schofield H, Wiggins G & Willett P (2001) . Drug Discovery Today, 6(18), 931-934.
Watson P, Willett P, Gillet VJ & Verdonk ML (2001) . Journal of Computer-Aided Molecular Design, 15(9), 835-857.
Gedeck P & Willett P (2001) . Current Opinion in Chemical Biology, 5(4), 389-395.
Gardiner EJ, Willett P & Artymiuk PJ (2001) . Proteins: Structure, Function and Genetics, 44(1), 44-56.
Redman J, Willett P, Allen FH & Taylor R (2001) . Journal of Applied Crystallography, 34(3), 375-380.
Martin YC, Willett P, Lajiness M, Johnson M, Maggiora G, Martin E, Bures MG, Gasteiger J, Cramer RD, Pearlman RS & Mason JS (2001) . Journal of Combinatorial Chemistry, 3(3), 231-250.
Gillet VJ, Khatib W, Willett P, Fleming PJ & Green DVS (2001) Multiobjective approach to combinatorial library design.. Abstracts of Papers of the American Chemical Society, 221, U403-U403.
Verdonk ML, Cole JC, Watson P, Gillet V & Willett P (2001) . Journal of Molecular Biology, 307(3), 841-859.
Jewell NE, Turner DB, Willett P & Sexton GJ (2001) . Journal of Molecular Graphics and Modelling, 20(2), 111-121.
Edgar SJ, Holliday JD & Willett P (2000) . Journal of Molecular Graphics and Modelling, 18(4-5), 343-357.
Ekmekçioglu FC & Willett P (2000) Effectiveness of stemming for Turkish text retrieval. Program, 34(2), 195-200.
Turner DB & Willett P (2000) . European Journal of Medicinal Chemistry, 35(4), 367-375.
Schuffenhauer A, Gillet VJ & Willett P (2000) Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors.. J. Chem. Inf. Comput. Sci., 40, 295-307.
Rhodes N, Willett P, Jr JBD & Humblet C (2000) Bit-String Methods for Selective Compound Acquisition.. J. Chem. Inf. Comput. Sci., 40, 210-214.
Gardiner EJ, Willett P & Artymiuk PJ (2000) Graph-Theoretic Techniques for Macromolecular Docking.. J. Chem. Inf. Comput. Sci., 40, 273-279.
Nakayama S-I (2000) . Journal of Computer Aided Chemistry, 1, 15-21.
Willett P (2000) . Current Opinion in Biotechnology, 11(1), 85-88.
Willett P (2000) Textual and chemical information processing; Different domains but similar algorithms. Information Research, 5(2).
Ginn CMR, Willett P & Bradshaw J (2000) . Perspectives in Drug Discovery and Design, 20, 1-16.
Thomas O & Willett P (2000) . Journal of Information Science, 26(6), 421-428.
Turner DB & Willett P (2000) . Journal of Computer-Aided Molecular Design, 14(1), 1-21.
Furner J, Ellis D & Willett P (1999) . ACM Computing Surveys, 31.
Seel M, Turner DB & Willett P (1999) . Quantitative Structure-Activity Relationships, 18(3), 245-252.
Turner DB, Willett P, Ferguson AM & Heritage TW (1999) . Journal of Computer-Aided Molecular Design, 13(3), 271-296.
Neilson K & Willett P (1999) . Aslib Proceedings, 51(3), 78-90.
Bayley MJ & Willett P (1999) . Journal of Molecular Graphics and Modelling, 17(1), 10-18.
Turner DB, Willett P, Ferguson AM & Heritage TW (1999) . ACS Symposium Series, 719, 312-329.
Jones G, Willett P, Glen RC, Leach AR & Taylor R (1999) . ACS Symposium Series, 719, 271-291.
Quarmby KL, Willett P & Wood FE (1999) . Journal of Information Science, 25(2), 147-155.
Gillet VJ, Willett P, Bradshaw J & Green DVS (1999) . Journal of Chemical Information and Computer Sciences, 39(1), 169-177.
Willett P (1999) . Journal of Computational Biology, 6(3-4), 447-457.
Willett P, Barnard JM & Downs GM (1998) . Journal of Chemical Information and Computer Sciences, 38(6), 983-996.
Gardiner EJ, Holliday JD, Willett P, Wilton DJ & Artymiuk PJ (1998) . Molecular Informatics, 17(03), 232-236.
Gardiner EJ, Holliday JD, Willett P, Wilton DJ & Artymiuk PJ (1998) . Quantitative Structure-Activity Relationships, 17(3), 232-236.
Turner DB, Willett P, Ferguson AM & Heritage T (1998) EVA QSAR: Development of models with enhanced predictivity using a genetic algorithm.. Abstracts of Papers of the American Chemical Society, 215, U515-U515.
Santos M, Willett P & Wood FE (1998) . Journal of Librarianship and Information Science, 30(1), 49-56.
Gillet VJ, Willett P & Bradshaw J (1998) . Journal of Chemical Information and Computer Sciences, 38(2), 165-179.
Cosgrove DA & Willett P (1998) . Journal of Molecular Graphics and Modelling, 16(1), 19-32.
Bayley MJ, Jones G, Willett P & Williamson MP (1998) . Protein Science, 7(2), 491-499.
van de Waterbeemd H, Carter RE, Grassy G, Kubinyi H, Martin YC, Tute MS & Willett P (1998) , 33(C), 397-409.
Gillet VJ, Wild DJ, Willett P & Bradshaw J (1998) . Computer Journal, 41(8), 555-558.
Thorner DA, Wild DJ, Willett P & Wright PM (1998) . Perspectives in Drug Discovery and Design, 9, 301-320.
Drayton SK, Edwards K, Jewell N, Turner DB, Wild DJ, Willett P, Wright PM & Simmons K (1998) Similarity searching in files of three-dimensional chemical structures: Identification of bioactive molecules. Internet Journal of Chemistry, 1(37), CP3-U34.
Heritage TW, Ferguson AM, Turner DB & Willett P (1998) EVA: A Novel Theoretical Descriptor for QSAR Studies. Perspectives in Drug Discovery and Design, 9--11, 381-398.
Willett P (1998) Michael F. Lynch: An appreciation. Journal of Documentation, 54(1), 1-14.
Robertson AM & Willett P (1998) . Journal of Documentation, 54(1), 48-69.
Snarey M, Terrett NK, Willett P & Wilton DJ (1997) . Journal of Molecular Graphics and Modelling, 15(6), 372-385.
Willett P (1997) Computational tools for the analysis of molecular diversity. Perspectives in Drug Discovery and Design, 7--8, 1-11.
Poirrette AR, Artymiuk PJ, Rice DW & Willett P (1997) . Journal of Computer-Aided Molecular Design, 11(6), 557-569.
Bruno IJ, Kemp NM, Artymiuk PJ & Willett P (1997) . Carbohydrate Research, 304(1), 61-67.
Greengrass M, Schinke R, Robertson AM & Willett P (1997) . History and Computing, 9(1-3), 29-35.
Goddard C, Willett P & Wood F (1997) . Aslib Proceedings, 49(9), 229-237.
Willett P & Wild DJ (1997) Database searching using molecular fields.. Abstracts of Papers of the American Chemical Society, 214, 32-CINF.
Holliday JD & Willett P (1997) . Journal of Molecular Graphics and Modelling, 15(4), 221-232.
Gardiner EJ, Artymiuk PJ & Willett P (1997) . Journal of Molecular Graphics and Modelling, 15(4), 245-253.
Clarke SJ & Willett P (1997) . Aslib Proceedings, 49(7), 184-189.
Gillet VJ, Willett P & Bradshaw J (1997) . Journal of Chemical Information and Computer Sciences, 37(4), 731-740.
Turner DB, Willett P, Ferguson AM & Heritage T (1997) . Journal of Computer-Aided Molecular Design, 11(4), 409-422.
VanDeWaterbeemd H, Carter RE, Grassy G, Kubinyi H, Martin YC, Tute MS, Willett P, Haasnoot CAG, Kier LB, Muller K , Rose SV et al (1997) . Pure and Applied Chemistry, 69(5), 1137-1152.
Barnard JM, Downs GM, Turner DB, Tyrrell SM & Willett P (1997) Rapid diversity analysis in combinatorial libraries using Markush structure techniques. Abstracts of Papers of the American Chemical Society, 213, 1-CINF.
Jones G, Willett P, Glen RC, Leach AR & Taylor R (1997) . Journal of Molecular Biology, 267(3), 727-748.
Willett P (1997) . SIGIR Forum (ACM Special Interest Group on Information Retrieval), 31(2), 7-13.
Schinke R, Greengrass M, Robertson AM & Willett P (1997) Retrieval of morphological variants in searches of latin text databases. Language Resources and Evaluation, 31(5), 409-432.
Artymiuk PJ, Poirrette AR, Rice DW, Willett P, Bryant SH, Madej T, Janin J, Liu Y, Ruoho AE, Zhang G & Hurley JH (1997) . Nature, 388(6637), 33-34.
Thorner DA, Willett P, Wright PM & Taylor R (1997) . Journal of Computer-Aided Molecular Design, 11(2), 163-174.
Schinke R, Greengrass M, Robertson AM & Willett P (1997) . Computers and the Humanities, 31(5), 409-432.
Robertson AM & Willett P (1996) . Journal of Documentation, 52(4), 405-420.
Schinke R, Greengrass M, Robertson AM & Willett P (1996) . Journal of Documentation, 52(2), 172-187.
Ellis D, Furner J & Willett P (1996) On the creation of hypertext links in full-text documents: Measurement of retrieval effectiveness. Journal of the American Society for Information Science, 47(4), 287-300.
Gillet V, Willett P & Bradshaw J (1996) Development of bioactivity profiles for use in compound selection.. Abstracts of Papers of the American Chemical Society, 211, 66-66.
Wild DJ & Willett P (1996) . Journal of Chemical Information and Computer Sciences, 36(2), 159-167.
Artymiuk PJ, Poirrette AR, Rice DW & Willett P (1996) . Nature Structural Biology, 3(2), 128-132.
AGOSTI M, BEAULIEU M, CLEVERDON C, FREI H, FUHR N, HARPER D, INGWERSEN P, KEEN M, KUHLEN R, ROBERTSON S , SMEATON A et al (1996) . Journal of Documentation, 52(1), 1-2.
Ekmekçioglu FC, Lynch MF & Willett P (1996) Stemming and N-gram matching for term conflation in Turkish texts. Information Research, 2(2), 2-7.
Greengrass M, Robertson AM, Schinke R & Willett P (1996) Processing morphological variants in searches of Latin text. Information Research, 2(1), 16-19.
Willett P (1996) Molecular diversity techniques for chemical databases. Information Research, 2(3), 25-32.
Downs GM & Willett P (1996) Similarity searching in databases of chemical structures. Reviews in Computational Chemistry, 7, 1-66.
Holliday JD & Willett P (1996) . Journal of Biomolecular Screening, 1(3), 145-151.
Thorner DA, Wild DJ, Willett P & Wright PM (1996) . Journal of Chemical Information and Computer Sciences, 36(4), 900-908.
Willett P (1996) . Journal of Classification, 13(1), 179-182.
Willett P (1996) . The Computer Journal, 39(3), 253-253.
Holliday JD, Ranade SS & Willett P (1995) . Quantitative Structure‐Activity Relationships, 14(6), 501-506.
Jones G, Willett P & Glen RC (1995) . Journal of Computer-Aided Molecular Design, 9(6), 532-549.
Jones G & Willett P (1995) . Current Opinion in Biotechnology, 6(6), 652-656.
Willett P (1995) . Trends in Biotechnology, 13(12), 516-521.
Downs GM, Gill GS, Willett P & Walsh P (1995) . SAR and QSAR in Environmental Research, 3(4), 253-264.
Ingwersen P & Willett P (1995) . Libri, 45(3-4), 160-177.
Willett P (1995) . Journal of Molecular Recognition, 8(5), 290-303.
Turner DB, Willett P, Ferguson AM & Heritage TW (1995) . SAR and QSAR in Environmental Research, 3(2), 101-130.
Kirriemuir JW & Willett P (1995) . Program, 29(3), 241-256.
Bath PA, Poirrette AR, Willett P & Allen FH (1995) . Journal of Chemical Information and Computer Sciences, 35(4), 714-716.
Wild DJ & Willett P (1995) Field-based Molecular Similarity Searching using a Genetic Algorithm. Abstracts of Papers of the American Chemical Society, 209, 95-COMP.
Jones G & Willett P (1995) Docking and Superimposition of Flexible Molecules Using a Genetic Algorithm. Abstracts of Papers of the American Chemical Society, 209, 144-COMP.
Allen FH, Bath PA & Willett P (1995) . Journal of Chemical Information and Computer Sciences, 35(2), 261-271.
Artymiuk PJ, Rice DW, Poirrette AR & Willett P (1995) . Nature Structural Biology, 2(2), 117-120.
Jones G, Willett P & Glen RC (1995) . Journal of Molecular Biology, 245(1), 43-53.
Jones G, Robertson AM, Santimetvirul C & Willett P (1995) Non-hierarchic document clustering using a genetic algorithm.. Information Research, 1.
Bath PA, Poirrette AR, Willett P & Allen FH (1995) . Journal of Chemical Information and Computer Sciences, 35(6), 1081.
Furner J & Willett P (1995) . Journal of Information Science, 21(4), 243-255.
Seng LB & Willett P (1995) . Journal of Information Science, 21(1), 68-71.
Artymiuk PJ, Poirrette AR, Rice DW & Willett P (1995) . Topics in Current Chemistry, 174, 73-103.
Furner-Hines J & Willett P (1995) . Aslib Proceedings, 47(1), 23-32.
Artymiuk PJ, Poirrette AR, Grindley HM, Rice DW & Willett P (1994) . Journal of Molecular Biology, 243(2), 327-344.
Robertson AM & Willett P (1994) . Journal of Documentation, 50(3), 213-232.
Downs GM, Willett P & Fisanick W (1994) . Journal of Chemical Information and Computer Sciences, 34(5), 1094-1102.
Poirrette AR, Grindley HM, Rice DW, Artymiuk PJ & Willett P (1994) . Protein Science, 3(7), 1128-1130.
Willett P (1994) Information-retrieval Interaction - Ingwersen, P. Journal of Documentation, 50(2), 142-144.
Ellis D, Furner-Hines J & Willett P (1994) . Journal of Documentation, 50(2), 67-98.
Furner‐Hines J & Willett P (1994) . VINE, 24(4), 45-49.
Jones G, Robertson AM & Willett P (1994) An introduction to genetic algorithms and to their use in information retrieval. Online Information Review, 18(1), 3-12.
Bath PA, Poirrette AR, Willett P & Allen FH (1994) . Journal of Chemical Information and Computer Sciences, 34(1), 141-147.
Clark DE, Jones G, Willett P, Kenny PW & Glen RC (1994) . Journal of Chemical Information and Computer Sciences, 34(1), 197-206.
Bures MG, Martin YC & Willett P (1994) . Topics in Stereochemistry, 21, 467-511.
Bath PA, Morris CA & Willett P (1993) . Journal of Chemometrics, 7(6), 543-550.
Clark DE, Willett P & Kenny PW (1993) . Journal of Molecular Graphics, 11(3), 146-156.
Willett P (1993) Algorithms for Substructure Searching in Databases of Conformationally-Flexible 3D Chemical Structures. Abstracts of Papers of the American Chemical Society, 206, 28-CINF.
Jones G & Willett P (1993) Chemical-structure Processing Using Genetic Algorithms. Abstracts of Papers of the American Chemical Society, 206, 1-CINF.
Shaw RJ & Willet P (1993) . Information Processing & Management, 29(4), 449-452.
Artymiuk PJ, Grindley HM, Kumar K, Rice DW & Willett P (1993) . FEBS Letters, 324(1), 15-21.
Willett P (1993) Research Policy in Librarianship and Information-Science - Papers Presented to a Conference of the Library and Information Research Group and the Public Libraries Research Group, Salford, 1990, Organized with the Support of the British Library Research and Development Department - Harris, C.. Journal of Documentation, 49(1), 85-90.
Poirrette AR, Willett P & Allen FH (1993) . Journal of Molecular Graphics, 11(1), 2-14.
Grindley HM, Artymiuk PJ, Rice DW & Willett P (1993) . Journal of Molecular Biology, 229(3), 707-721.
Willett P (1993) . International Journal of Information Management, 13(1), 73-74.
Robertson AM & Willett P (1993) . Literary and Linguistic Computing, 8(3), 143-152.
Hearmon RA, Warr WA, McDowall RD, Willett P, Davies AN & Dasilva PF (1993) . Analytical Proceedings, 30(4), 199-206.
Willett P (1993) . Journal of Classification, 10(1), 153-154.
Clark DE, Willett P & Kenny PW (1992) . Journal of Molecular Graphics, 10(4), 194-204.
Willett P (1992) . Journal of Chemometrics, 6(6), 289-305.
Artymiuk PJ, Bath PA, Grindley HM, Pepperrell CA, Poirrette AR, Rice DW, Thorner DA, Wild DJ, Willett P, Allen FH & Taylor R (1992) . Journal of Chemical Information and Computer Sciences, 32(6), 617-630.
Willett P (1992) Technobabble - Barry, JA. Journal of Documentation, 48(3), 332-333.
Brown RD, Downs GM, Willett P & Cook APF (1992) . Journal of Chemical Information and Computer Sciences, 32(5), 522-531.
Popovic M & Willett P (1992) The effectiveness of stemming for natural-language access to Slovene textual data. Journal of the American Society for Information Science, 43(5), 384-390.
Artymiuk PJ, Grindley HM, Park JE, Rice DW & Willett P (1992) . FEBS Letters, 303(1), 48-52.
Bradley SJ, Willett P & Wood FE (1992) . Journal of Information Science, 18(3), 225-232.
Cuna Ekmekcioglu F, Robertson AM & Willett P (1992) . Journal of Information Science, 18(2), 139-147.
Ellis D, Loughridge B, Lynch MF, Usherwood B, Willet P, Wilson TD & Wood FE (1991) Annual-Review of Information-Science and Technology, Vol. 25 - Willams, M.. Journal of Documentation, 47(4), 399-405.
Rogers HJ & Peter W (1991) . Journal of Documentation, 47(4), 333-353.
Poirrette AR, Willett P & Allen FH (1991) . Journal of Molecular Graphics, 9(4), 203-217.
Pepperrell CA & Willett P (1991) . Journal of Computer-Aided Molecular Design, 5(5), 455-474.
Clark DE, Willett P & Kenny PW (1991) . Journal of Molecular Graphics, 9(3), 157-160.
Pepperrell CA, Willett P & Taylor R (1991) Implementation and use of an Atom-mapping Procedure for Similarity Searching in Databases of 3-D Chemical Structures. Abstracts of Papers of the American Chemical Society, 202, 43-COMP.
Peat HJ & Willett P (1991) The limitations of term co-occurrence data for query expansion in document retrieval systems. Journal of the American Society for Information Science, 42(5), 378-383.
Willett P, Wilson T & Reddaway SF (1991) . Journal of Chemical Information and Computer Sciences, 31(2), 225-233.
Alhawamdeh S, Smith G & Willett P (1991) . Program: electronic library and information systems, 25(2), 119-131.
Cringean JK, England R, Manson GA & Willett P (1991) Nearest-neighbour Searching in Files of Text Signatures Using Transputer Networks.. Electronic Publishing, 4, 185-203.
Milne GWA & Willett P (1991) . Journal of Chemical Information and Computer Sciences, 31(2), 175.
Cringean JK, England R, Manson GA & Willett P (1991) . Information Processing & Management, 27(4), 265-283.
Pepperell CA, Poirrette AR, Willett P & Taylor R (1991) . Pesticide Science, 33(1), 97-111.
Lynch MF, Willett P & Lawlor B (1990) . Journal of Chemical Information and Computer Sciences, 30(4), 349-350.
Artymiuk PJ, Rice DW, Mitchell EM & Willett P (1990) . Protein Engineering, Design and Selection, 4(1), 39-43.
Mitchell EM, Artymiuk PJ, Rice DW & Willett P (1990) . Journal of Molecular Biology, 212(1), 151-166.
Popovič M & Willett P (1990) . Literary and Linguistic Computing, 5(2), 182-190.
Cronin B & Willett P (1990) . International Journal of Information Management, 10(3), 176-177.
Martin YC & Willett P (1990) . Tetrahedron Computer Methodology, 3(6 PART C), 527-530.
Pepperrell CA, Taylor R & Willett P (1990) . Tetrahedron Computer Methodology, 3(6 PART C), 575-593.
Cringean JK, Pepperrell CA, Poirrette AR & Willett P (1990) . Tetrahedron Computer Methodology, 3(1), 37-46.
Rasmussen EM, Willett P, Wilson T, Manson GA & Wilson GA (1990) . Analytica Chimica Acta, 235(C), 77-86.
Willett P (1989) Chemical Information-systems - Introduction. Chemistry in Britain, 25(11), 1099-1099.
Lynch MF, Rasmussen EM, Willett P, Manson GA & Wilson GA (1989) . Biochemical Society Transactions, 17(5), 856-858.
Willett P & Wood FE (1989) Use of the INSTRUCT Text Retrieval Program at the Department of Information Studies, University of 91ֱ��. Education for Information, 7(2), 133-141.
El-Hamdouchi A & Willett P (1989) . Computer Journal, 32(3), 220-227.
Ormerod A, Willett P & Bawden D (1989) . Quantitative Structure‐Activity Relationships, 8(2), 115-129.
Biru T, El-Hamdouchi A, Rees RS & Willett P (1989) . Journal of Documentation, 45(2), 85-109.
Rasmussen EM & Willett P (1989) . Journal of Documentation, 45(1), 1.
Brint AT, Davies HM, Mitchell EM & Willett P (1989) . Journal of Molecular Graphics, 7(1), 48-53.
Artymiuk PJ, Rice DW, Mitchell EM & Willett P (1989) . Journal of Studies in International Education, 15(4-5), 287-298.
Lipscomb KJ, Lynch MF & Willett P (1989) Chemical-structure Processing. Annual Review of Information Science and Technology, 24, 189-238.
Artymiuk PJ, Rice DW, Mitchell EM & Willett P (1989) . Journal of Information Science, 15(4-5), 287-298.
Willett P (1989) . Journal of Information Science, 15(4-5), 223-236.
Wade SJ, Willett P & Bawden D (1989) . Journal of Information Science, 15(4-5), 249-260.
Brint AT & Willett P (1989) . Journal of Computer-Aided Molecular Design, 2(4), 311-320.
Carroll DM, Pogue CA & Willett P (1988) Bibliographic pattern matching using the ICL Distributed Array Processor. Journal of the American Society for Information Science, 39(6), 390-399.
Brint AT, Gillet VJ, Lynch MF, Willett P, Manson GA & Wilson GA (1988) . Parallel Computing, 8(1-3), 295-300.
Pogue CA, Rasmussen EM & Willett P (1988) . Parallel Computing, 8(1-3), 399-407.
Willett P & Bawden D (1988) Inter-Molecular Structural Similarity in Chemical Database-Processing. Abstracts of Papers of the American Chemical Society, 196, 50-COMP.
Ellis D, Ford NJ, Willet P & Wood FE (1988) Annual-Review of Information Science and Technology, Vol. 22. Journal of Documentation, 44(3), 263-267.
Rasmussen EM, Downs GM & Willett P (1988) . Journal of Computational Chemistry, 9(4), 378-386.
Willett P (1988) Graphics for Chemical Structures - Integration with Text and Data - Warr, WA.. Journal of Documentation, 44(2), 182-184.
Wade S, Willett P, Robinson B, Vickery B & Vickery A (1988) A comparison of knowledge-based and statistically-based techniques for reference retrieval. Online Information Review, 12(2), 91-108.
Willett P (1988) . International Journal of Information Management, 8(1), 65-65.
Al-Hawamdeh S & Willett P (1988) Paragraph-based Searching in Full-Text Documents.. Electronic Publishing, 2, 179-192.
Willett P (1988) . World Patent Information, 10(2), 120-129.
Downs GM, Lynch MF, Willett P, Manson GA & Wilson GA (1988) . Tetrahedron Computer Methodology, 1(3), 207-217.
Cringean JK, Manson GA, Willett P & Wilson GA (1988) . Journal of Information Science, 14(6), 335-345.
Willett P (1988) . Information Processing & Management, 24(6), 718-719.
Willett P (1988) . Information Processing and Management, 24(5), 577-597.
El-Hamdouchi A & Willett P (1988) . Information Processing and Management, 24(1), 17-22.
Wade SJ & Willett P (1988) . Program, 22(1), 44-61.
Brint AT & Willett P (1987) . Journal of Molecular Graphics, 5(4), 200-207.
Brint AT & Willett P (1987) . Journal of Chemical Information and Computer Sciences, 27(4), 152-158.
Willett P (1987) . Journal of Chemometrics, 1(3), 139-155.
Pogue CA & Willett P (1987) . Parallel Computing, 4(3), 259-268.
Stewart M & Willett P (1987) . Journal of Documentation, 43(2), 93-111.
T Brint A & Willett P (1987) . Journal of Molecular Graphics, 5(1), 49-56.
E Jakes S, Watts N, Willett P, Bawden D & D Fisher J (1987) . Journal of Molecular Graphics, 5(1), 41-48.
Elhamdouchi A & Willett P (1987) . Journal of Information Science, 13(6), 361-365.
Willett P (1987) . Journal of Classification, 4(2), 253-255.
Lynch MF & Willett P (1987) . Information Processing and Management, 23(5), 447-463.
Lynch MF & Willett P (1987) . Journal of Information Science, 13(4), 221-234.
Hendry IG, Willett P & Wood FE (1986) . Program: electronic library and information systems, 20(4), 382-393.
McCall FM & Willett P (1986) . International Journal of Man-Machine Studies, 25(3), 317-326.
Willett P, Winterman V & Bawden D (1986) . Journal of Chemical Information and Computer Sciences, 26(3), 109-118.
Hendry IG, Willett P & Wood FE (1986) . Program: electronic library and information systems, 20(3), 245-263.
Willett P & Winterman V (1986) . Quantitative Structure‐Activity Relationships, 5(1), 18-25.
E Jakes S & Willett P (1986) . Journal of Molecular Graphics, 4(1), 12-20.
Willett P, Winterman V & Bawden D (1986) . Journal of Chemical Information and Computer Sciences, 26(1), 36-41.
Griffiths A, Luckhurst HC & Willett P (1986) USING INTERDOCUMENT SIMILARITY INFORMATION IN DOCUMENT RETRIEVAL SYSTEMS.. Journal of the American Society for Information Science, 37(1), 3-11.
Walker JR & Willett P (1986) . Bioinformatics, 2(2), 89-93.
Gillet VJ, Welford SM, Lynch MF, Willett P, Barnard JM, Downs GM, Manson G & Thompson J (1986) . Journal of Chemical Information and Computer Sciences®, 26, 118-126.
Griffiths A, Luckhurst HC & Willett P (1986) Using interdocument similarity information in document retrieval systems. Journal of the American Society for Information Science, 37(1), 3-11.
Willett P (1985) Information Comes of Age - Proceedings of the Annual Conference of the Institute of Information Scientists, University of Kent at Canterbury, July 1984 - Oppenheim, C. Journal of Documentation, 41(4), 274-276.
Willett P (1985) . Journal of Chemical Information and Computer Sciences, 25(2), 114-116.
Willett P (1985) . Information Processing and Management, 21(3), 225-232.
Willett P (1985) Query-specific Automatic Document Classification. International Forum on Information and Documentation, 10(2), 28-32.
Willett P (1985) . Journal of Chemical Information and Computer Sciences, 25(2), 78-80.
Mohan KC & Willett P (1985) . Journal of Information Science, 11(1), 31-39.
Willett P (1984) . Social Science Information Studies, 4(4), 305-305.
Pogue C & Willett P (1984) An evaluation of document retrieval from serial files using the ICL Distributed Array Processor. Online Information Review, 8(6), 569-584.
Willett P (1984) A Teaching Package for Experimental Methods in Information-Retrieval. Program - Automate Library and Information Systems, 18(3), 259-260.
Willett P (1984) A Nearest Neighbor Search Algorithm for Bibliographic Retrieval from Multilist Files. Information Technology-Research Development Applications, 3(2), 78-83.
Griffiths A, Robinson LA & Willett P (1984) . Journal of Documentation, 40(3), 175-205.
Willett P (1984) . Journal of Chemical Information and Computer Sciences, 24(1), 29-33.
Willett P (1984) . Journal of the American Society for Information Science, 35(3), 149-152.
Willett P (1984) Intelligent Information-retrieval - Informatics- 7 - Proceedings of a Conference Held by the ASLIB Informatics Group and the Information-retrieval Group of the British Computer Society, Cambridge, 22-23 March 1983 - Jones, KP. Journal of Documentation, 40(4), 305-306.
Willett P (1983) Similarity Coefficients and Weighting Functions for Automatic Document Classification - An Empirical Comparison. International Classification, 10(3), 138-142.
Perry SA & Willett P (1983) . Journal of Information Science, 6(2-3), 59-66.
Willett P (1983) Research and Development in Information-retrieval - Salton, G and Schneider, HJ. Information Technology-Research Development Applications, 2(4), 241-242.
Willett P (1983) . Journal of Chemical Information and Computer Sciences, 23(1), 22-25.
Angell RC, Freund GE & Willett P (1983) . Information Processing and Management, 19(4), 255-261.
Rubin V & Willett P (1983) . Analytica Chimica Acta, 151(C), 161-166.
Willett P (1983) . Social Science Information Studies, 3(2), 127-128.
Harding AF, Lynch MF & Willett P (1983) . Information Processing and Management, 19(1), 1-8.
Willett P (1983) . Social Science Information Studies, 3(2), 126-127.
Willett P (1982) . Journal of the American Society for Information Science, 33(5), 262-264.
Willett P (1982) Information-retrieval Research - Oddy, RN, Robertson, SE, Vanrijsbergen, CJ, Williams, PW.. Journal of Documentation, 38(3), 241-242.
Rowbottom ME & Willett P (1982) . Journal of the American Society for Information Science, 33(3), 139-141.
Willett P (1982) . Analytica Chimica Acta, 136(C), 29-37.
Willett P (1982) . Analytica Chimica Acta, 138(C), 339-342.
Willett P (1982) . Social Science Information Studies, 2(1), 59-60.
Barnard JM & Willett P (1981) Method for generating a chemical reaction index for storage and retrieval of information. Comments.. J. Chem. Inf. Comput. Sci., 21, 140-141.
Lennon M, Peirce DS, Tarry BD & Willett P (1981) . Journal of Information Science, 3(4), 177-183.
Mcgregor JJ & Willett P (1981) . Journal of Chemical Information and Computer Sciences, 21(3), 137-140.
Willett P (1981) . Information Processing and Management, 17(2), 53-60.
Bawden D, Catlow JT, Devon TK, Dalton JM, Lynch MF & Willett P (1981) . Journal of Chemical Information and Computer Sciences, 21(2), 83-86.
Willett P (1980) . Journal of Information Science, 2(5), 223-231.
Harding AF & Willett P (1980) . Journal of the American Society for Information Science, 31(4), 298-300.
Willett P (1980) . Journal of Chemical Information and Computer Sciences, 20(2), 93-96.
Willett P (1979) . Journal of Chemical Information and Computer Sciences, 19(4), 253-255.
Willett P (1979) . Journal of Documentation, 35(4), 296-305.
Burnett JE, Cooper D, Lynch MF, Willett P & Wycherley M (1979) . Journal of Documentation, 35(3), 197-206.
Willett P (1979) . Journal of Chemical Information and Computer Sciences, 19(3), 159-162.
Bawden D, Devon TK, Jackson FT, Wood S, Lynch MF & Peter W (1979) . Journal of Chemical Information and Computer Sciences, 19(2), 90-93.
Gannon MT & Willett P (1979) . Journal of Chemical Information and Computer Sciences, 19(4), 251-253.
Willett P (1979) . Journal of Chemical Information and Computer Sciences, 19(3), 156-158.
Lynch MF & Willett P (1978) . Journal of Chemical Information and Computer Sciences, 18(3), 149-154.
Lynch MF & Willett P (1978) . Journal of Chemical Information and Computer Sciences, 18(3), 154-159.
Lynch MF & Willet P (1978) Computer-analysis of Chemical-reactions for Storage and Retrieval. Abstracts of Papers of the American Chemical Society, 176(SEP), 15-15.
Evans LA, Lynch MF & Willett P (1978) . Journal of Chemical Information and Computer Sciences, 18(3), 146-149.
Willett P (1977) Automatic-analysis of Chemical-reaction Data. Information Scientist, 11(4), 125-135.
Wakeling S, Spezi V, Fry J, Creaser C, Pinfield S & Willett P () . Bibliosphere(2), 3-14.
Wakeling S, Willett P, Creaser C, Fry J, Pinfield S & Spezi V () .
Schuffenhauer A, Gillet VJ & Willett P () . ChemInform, 31(24), no-no.
Gillet VJ, Willett P, Bradshaw J & Green DVS () . ChemInform, 30(21), no-no.
GILLET VJ, WILLETT P & BRADSHAW J () . ChemInform, 29(27), no-no.
GILLET VJ, WILLETT P & BRADSHAW J () . ChemInform, 28(45), no-no.
GINN CMR, TURNER DB, WILLETT P, FERGUSON AM & HERITAGE TW () . ChemInform, 28(18), no-no.
ARTYMIUK PJ, BATH PA, GRINDLEY HM, PEPPERRELL CA, POIRRETTE AR, RICE DW, THORNER DA, WILD DJ, WILLETT P, ALLEN FH & TAYLOR R () . ChemInform, 24(12), no-no.
BROWN RD, DOWNS GM, WILLETT P & COOK APF () . ChemInform, 24(4), no-no.
Willett P () Library Review 1989-2017: Publication and Citation Statistics. Global Knowledge, Memory and Communication.
Willett P () The Views and Practices of UK School Librarians in Handling Student Privacy. New Review of Children's Literature and Librarianship.
Willett P, sen B & egberongbe () Quality Management Approaches in Academic Libraries: A Pilot Study of a Nigerian University Library. Qualitative and Quantitative Methods in Libraries.

Chapters

Birdi B, Cox A, Pretlove L & Willett P (2022) Research In Bowman JH (Ed.), British librarianship and information work 2016-2020 (pp. 242-255). London.
Downs GM, Holliday JD & Willett P (2017) , Current Challenges in Patent Information Retrieval (pp. 391-407). Springer Berlin Heidelberg
Birdi B & Willett P (2017) Research In Bowman J (Ed.), British librarianship and information work 2011-2015 (pp. 378-392).
Willett P (2016) In Bienstock RJ, Shanmugasundaram V & Bajorath J (Ed.), Frontiers in Molecular Design and Chemical Information Science
Arif SM, Holliday JD & Willett P (2015) , Advances in Mathematical Chemistry and Applications: Volume 1 (pp. 92-112).
(2014) BENTHAM SCIENCE PUBLISHERS
Willett P (2013) (pp. 105-118). Wiley
Holliday JD, Willett P & Xiang H (2013) In Haghi AK (Ed.), Methodologies and Applications for Chemoinformatics and Chemical Engineering (pp. 310-321). IGI Global
Willett P & Sen BA (2012) Research, British Librarianship and Information Work 2006-2010 (pp. 338-359). Lulu
Holliday JD & Willett P (2011) , Current Challenges in Patent Information Retrieval (pp. 343-355). Springer Berlin Heidelberg
Downs GM & Willett P (2008) , Advanced Computer-Assisted Techniques in Drug Discovery (pp. 111-130).
Bath P, Willett P, Craigs C, Maheswaran R & Raymond J (2007) , GIS and Evidence-Based Policy Making CRC Press
(2007) , GIS and Evidence-Based Policy Making (pp. 183-200). CRC Press
Gillet VJ & Willett P (2007) , Comprehensive Medicinal Chemistry II (pp. 167-192). Elsevier
Bath PA, Craigs C, Maheswaran R, Raymond J & Willett P (2007) Pattern identification in public health data sets: The potential offered by graph theory, GIS and Evidence-Based Policy Making (pp. 159-176).
Gillet VJ & Willett P (2006) Compound selection using measures of similarity and dissimilarity, Comprehensive Medicinal Chemistry II (pp. 167-191).
Hert J, Willett P & Wilton DJ (2006) , Chemogenomics (pp. 133-156). PUBLISHED BY IMPERIAL COLLEGE PRESS AND DISTRIBUTED BY WORLD SCIENTIFIC PUBLISHING CO.
Hert J, Willett P & Wilton DJ (2006) New Methods for Similarity-based Virtual Screening, COMPUTER SIMULATION OF SHAPED CHARGE PROBLEMS (pp. 133-156).
Willett P (2001) , Mathematical and Computational Chemistry (pp. 51-66). Springer US
Barnard JM, Downs GM & Willett P (2000) (pp. 59-80). Wiley
Willett P (2000) (pp. 115-135). Wiley
Willett P (1998) Wiley
Furner J, Ellis D & Willett P (1996) , Information Retrieval and Hypertext (pp. 75-96). Springer US
Artymiuk PJ, Grindley HM, Mackenzie AB, Rice DW, Ujah EC & Willett P (1995) , Molecular Similarity and Reactivity (pp. 123-140). Springer Netherlands
Willett P (1994) , Studies in Classification, Data Analysis, and Knowledge Organization (pp. 280-293). Springer Berlin Heidelberg
Rasmussen EM, Willett P & Wilson T (1993) , Chemical Structures 2 (pp. 327-341). Springer Berlin Heidelberg
Pepperrell CA & Willett P (1993) , Chemical Structures 2 (pp. 377-382). Springer Berlin Heidelberg
Poirrette AR & Willett P (1993) , Chemical Structures 2 (pp. 293-296). Springer Berlin Heidelberg
Downs GM, Poirrette AR, Willett P & Walsh PT (1993) , Chemical Structures 2 (pp. 409-421). Springer Berlin Heidelberg
Robertson AM & Willett P (1993) , 14th Information Retrieval Colloquium (pp. 155-168). Springer London
Grindley HM, Lynch MF, Manson GA, Rasmussen EM, Willett P, Wilson GA & Wilson T (1989) , Chemical Information (pp. 253-269). Springer Berlin Heidelberg
Willett P (1988) , Physical Property Prediction in Organic Chemistry (pp. 191-207). Springer Berlin Heidelberg
Brint AT, Mitchell E & Willett P (1988) , Chemical Structures (pp. 131-144). Springer Berlin Heidelberg
Papadatos G, Gillet VJ, Luscombe CN, McLay IM, Pickett SD & Willett P () , Chemoinformatics for Drug Discovery (pp. 179-204). John Wiley & Sons, Inc
Papadatos G, Bodkin MJ, Gillet VJ & Willett P () , Bioisosteres in Medicinal Chemistry (pp. 103-127). Wiley-VCH Verlag GmbH & Co. KGaA
Meanwell NA, Gastreich M, Rarey M, Devereux M, Popelier PLA, Schneider G & Willett P () , Bioisosteres in Medicinal Chemistry (pp. 217-230). Wiley-VCH Verlag GmbH & Co. KGaA
Willett P () , Handbook of Chemoinformatics (pp. 904-912). Wiley-VCH Verlag GmbH
Willett P () , Handbook of Chemoinformatics (pp. 6-20). Wiley-VCH Verlag GmbH
Martin YC, Bures MG & Wille P () , Reviews in Computational Chemistry (pp. 213-263). John Wiley & Sons, Inc.
Ginn CMR, Willett P & Bradshaw J () , Virtual Screening: An Alternative or Complement to High Throughput Screening? (pp. 1-16). Kluwer Academic Publishers
Heritage TW, Ferguson AM, Turner DB & Willett P () , 3D QSAR in Drug Design (pp. 381-398). Kluwer Academic Publishers

Conference proceedings papers

Kannas C, Read W, Ruddock N, Fletcher M, Jackson T, Stevens R, Winter J, Willett P & Gillet V (2015) Multiobjective transformation based de novo design: A case study of surfactants. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 250
Willett P (2015) Molecular similarity approaches in chemoinformatics: Early history and bibliometric analysis. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol. 250
Clough P, Willett P & Lim J (2015) (pp 229-234)
Arif SM, Hert J, Holliday JD, Malim N & Willett P (2009) . Pattern Recognition in Bioinformatics, Vol. 5780 (pp 404-414)
Gillet VJ & Willett P (2008) CINF 32-Academic-industrial collaboration in chemoinformatics: Experiences from the UK. Abstracts of Papers of the American Chemical Society, Vol. 235
Gillet VJ, Holliday J & Willett P (2008) CINF 72-Graduate training in chemoinformatics at the University of 91ֱ��. Abstracts of Papers of the American Chemical Society, Vol. 235
Pasupa K, Harrison RF & Willett P (2007) . Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), Vol. 4477 LNCS(PART 1) (pp 531-538)
Hert J, Willett P, Wilton D, Azzaoui K, Jacoby E & Schuffenhauer A (2005) Turbo similarity searching. Abstracts of Papers of the American Chemical Society, Vol. 230 (pp U1020-U1021)
Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E & Schuffenhauer A (2005) Fingerprint based virtual screening using multiple reference structures.. Abstracts of Papers of the American Chemical Society, Vol. 229 (pp U609-U609)
Willett P (2005) Molecular similarity approaches for chemoinformatics.. Abstracts of Papers of the American Chemical Society, Vol. 229 (pp U774-U774)
Holliday JD, Salim N & Willett P (2005) . Chemometrics and Chemoinformatics, Vol. 894 (pp 77-95)
Willett P (2004) Chemoinformatics: an application domain for information retrieval techniques.. SIGIR (pp 393-393)
Willett P & Clark RD (2003) 3D atom-based alignment with hypermolecules.. Abstracts of Papers of the American Chemical Society, Vol. 226 (pp U455-U455)
Bath P, Craigs C, Maheswaran R, Raymond J & Willett P (2002) Use of graph theory for data mining in public health. Management Information Systems, Vol. 6 (pp 819-828)
Gaizauskas R, Herring P, Oakes M, Beaulieu M, Willett P, Fowkes H & Jonsson A (2001) . Proceedings of the first international conference on Human language technology research - HLT '01, 18 March 2001 - 21 March 2001.
Turner DB & Willett P (2000) . Molecular Modeling and Prediction of Bioactivity (pp 331-333)
Willett P (1999) IDENTIFICATION OF BIOISOSTERIC MOLECULES USING FIELD-BASED SIMILARITY SEARCHING. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, Vol. 55 (pp 71-71)
Bayley MJ, Gillet VJ, Willett P, Bradshaw J & Green DVS (1999) . Proceedings of the Annual International Conference on Computational Molecular Biology, RECOMB (pp 321-330)
Willett P (1999) Matching of chemical and biological structures using subgraph and maximal common subgraph isomorphism algorithms. Rational Drug Design, Vol. 108 (pp 11-38)
Poirrette AR, Artymiuk PJ, Rice DW & Willett P (1998) Comparison of protein surfaces using a genetic algorithm.. J. Comput. Aided Mol. Des., Vol. 12 (pp 557-569)
Ginn CMR, Ranada SS, Willett P & Bradshaw J (1998) The application of data fusion to similarity searching in chemical databases. Fusion'98: Proceedings of the International Conference on Multisource-Multisensor Information Fusion, Vols. 1 and 2 (pp 307-313)
O'Rourke AJ, Robertson AM, Willett P, Eley P & Simons P (1997) Word variant identification in Old French. Information Research, Vol. 2(4) (pp 19-23)
Turner DB, Tyrrell SM & Willett P (1997) . Journal of Chemical Information and Computer Sciences, Vol. 37(1) (pp 18-22)
Ginn CMR, Turner DB, Willett P, Ferguson AM & Heritage TW (1997) . Journal of Chemical Information and Computer Sciences, Vol. 37(1) (pp 23-37)
Ellis D, Furnerhines J & Willett P (1995) Is the manual creation of hypertext worth the effort?. Libraries and Publishers, Vol. 4 (pp 122-138)
Kirriemuir JW & Willett P (1995) Use of cluster analysis methods for analysing the outputs of multiple-database searches. Electronic Library and Visual Information Research - ELVIRA 2 (pp 117-126)
Ellis D, Furner-Hines J & Willett P (1994) On the Measurement of Inter-Linker Consistency and Retrieval Effectiveness in Hypertext Databases.. SIGIR (pp 51-60)
Ellis D, Furnerhines J & Willett P (1994) Measuring the Consistency of Assignment of Hypertext Links in Full-text Documents. Information Retrieval (pp 67-80)
Wild DJ & Will P (1994) . Journal of Chemical Information and Computer Sciences, Vol. 34(1) (pp 224-231)
Artymiuk PJ, Rice DW, Grindley HM, Poirrette AR, Ujah EC & Willett P (1994) . Journal of Chemical Information and Computer Sciences, Vol. 34(1) (pp 54-62)
Brown RD, Jones G, Willett P & Glen RC (1994) . Journal of Chemical Information and Computer Sciences, Vol. 34(1) (pp 63-70)
Brown RD, Downs GM, Jones G & Willett P (1994) . Journal of Chemical Information and Computer Sciences, Vol. 34(1) (pp 47-53)
(1993) Proceedings of the 16th Annual International ACM-SIGIR Conference on Research and Development in Information Retrieval. Pittsburgh, PA, USA, June 27 - July 1, 1993
Artymiuk PJ, Rice DW, Grindley HM, Mitchell EM, Ujah EC & Willett P (1993) (pp 273-292)
Jones G, Brown RD, Clark DE, Willett P & Glen RC (1993) Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic Algorithms.. ICGA (pp 597-602)
Robertson AM & Willett P (1992) Searching for historical word-forms in a database of 17th-century english text using spelling-correction methods. Proceedings of the Fifteenth Annual International ACM SIGIR Conference on Research and Development in Information Retrieval (pp 256-265)
Robertson AM & Willett P (1992) Searching for Historical Word-Forms in a Database of 17th-Century English Text Using Spelling-Correction Methods.. SIGIR (pp 256-265)
ARTYMIUK PJ, GRINDLEY HM, RICE DW, UJAH EC & WILLETT P (1992) SEARCHING TECHNIQUES FOR THE TERTIARY STRUCTURES OF PROTEINS IN THE PROTEIN DATA-BANK. RECENT ADVANCES IN CHEMICAL INFORMATION, Vol. 100 (pp 91-106)
Al-Hawamdeh S, De Vere R, Smith G & Willett P (1991) Using nearest-neighbour searching techniques to access full-text documents. Online Information Review, Vol. 15(3-4) (pp 173-190)
Downs GM & Willett P (1991) The use of Similarity and Clustering Techniques for the Predictions of Molecular Properties. Applied Multivariate Analysis in SAR and Environmental Studies, Vol. 2 (pp 247-279)
Cringean JK, England R, Manson GA & Willett P (1990) Parallel Text Searching in Serial Files Using a Processor Farm.. SIGIR (pp 429-453)
Croft WB, Lucia TJ, Cringean J & Willett P (1989) . Information Processing and Management, Vol. 25(6) (pp 599-614)
Rasmussen EM & Willett P (1987) Non-Hierarchic Document Clustering Using the ICL Distributed Array Processor.. SIGIR (pp 132-139)
El-Hamdouchi A & Willett P (1986) Hierarchic Document Clustering Using Ward's Method.. SIGIR (pp 149-156)

Grants

Research Projects

Open-Access Mega Journals and the Future of Scholarly Communication

Arts and Humanities Research Council

Investigator

£421,465

2 November 2015

24 months

Open-access 'mega-journals' are an emerging publishing trend which has the potential to reshape the way researchers share their findings, remoulding the academic publishing market and radically changing the nature and reach of scholarship. This project will investigate the influence of mega-journals in the academic community and beyond.

Bio-renewable Formulation - 6 month extension

Unilever

Investigator

£49,171

1 February 2015

12 months

Bio-renewable Formulation Information and Knowledge Management System

Technology Strategy Board

Investigator

£24,992

1 April 2014

24 months

Innovative ICT can play a crucial role in many innovation processes, but its potential is not always exploited in many industries. A route to innovation in formulated product industries is the exploitation of materials in what would otherwise be lost to waste streams from current manufacturing processes. This is exciting both in terms of realising additional value from manufacturing, but also in reduced utilisation of unsustainable material sources and exploitation of novel feedstocks for novel functional materials with new application benefits. This project will develop an information system based on highly innovative information technologies with the capability to rapidly identify the feedstock and functional material opportunities for formulated products, and demonstrate its value in rapid bio-derived surfactant discovery. It aims to support chemical using industries where environmental impact, sustainability and materials security are increasingly significant drivers of innovation alongside improved performance in formulated products. Project partners are Unilever, British Sugar, Croda, Cybula, University of Manchester and University of Liverpool

N8 Biohub Information and Knowledge Management System

Technology Strategy Board

Investigator

£131,128

1 October 2013

28 months

The overall aim of this project is to build, and demonstrate the value of, an information system (IS) to support the creation of a "Bio-Hub" centred on the N8 university group. The IS will demonstrate how functional ingredients from simple transformations of sustainable plant & waste feedstocks can be identified more quickly and recommend the best feedstocks for a particular function. It will address two big data problems using clever algorithms: semantic extraction of the available domain literature (terabytes) and optimised global search algorithms to explore the combinatorially large number of transformation products (up to petabytes). The innovations are in the creation of robust enough algorithms to run semi-autonomously in an information system and in bringing these together with all the other components. The value will be demonstrated for specific feedstocks and applications, but the ICTs will be selected for simple extension to, and maintenance of, the overall information domain. Project partners are Unilever, British Sugar, Croda, Cybula and University of Manchester.

AstraZeneca Collaboration - Pharmacophores

AstraZeneca

Investigator

£74,512

1 January 2007

12 months

The project involved the development of a new multiobjective optimisation method for pharmacophore identification from sets of active compounds. A pharmacophore describes the three-dimensional arrangement of chemical features required for a small molecule to bind to a receptor and the aim of this project was to deduce the pharmacophore from a series of active compounds in the absence of the structure of the receptor itself. This involves superposing the compounds so that their common features are overlaid.

Sanofi-91ֱ�� collaboration

Sanofi-Aventis

Principal Investigator

£92,421

1 January 2007

12 months

Array design for lead optimisation in pharmaceutical research

GlaxoSmithKline

Investigator

£252,000

23 October 2006

48 months

This EPSRC-funded project focused on the development of tools to assist medicinal chemists in the design of compound arrays during the lead optimisation stage of drug discovery. Lead optimisation is a complex, time-consuming task, in which chemists seek to obtain a promising balance among potency, off-target interactions, toxicity, and pharmacokinetic behaviour, to identify a candidate molecule to progress to clinical trials. The focus has been on inverse QSAR, that is, determining the structural change necessary to achieve a desired change in property. This was been approached through retrospective studies of lead optimisation projects within the GSK archive and the development of computational tools that can be applied in prospective array design to inform decision making by chemists. These included a novel context-sensitive approach to matched molecular-pairs analysis.

Vector Analysis of 2D Fingerprints and Screening Data

Xention Limited

Principal Investigator

£13,000

1 July 2005

2 months

Support tools for automatic pharmacophore generation

Pfizer

Investigator

£71,467

1 March 2004

22 months

Johnson and Johnson PhD

Janssen Pharmaceuticals N.V.

Principal Investigator

£76,305

1 January 2004

36 months

Richmond Continuation

Tripos

Principal Investigator

£14,800

1 January 2004

3 months

Mining molecular bioassay data

Pfizer

Principal Investigator

£125,016

1 January 2003

24 months

Cheminformatics methods for HTS and profiling data analysis

Novartis

Principal Investigator

£50,001

1 December 2002

36 months

PhD studentship

Development of novel methods for protein surface representation and comparison

Biotechnology and Biological Sciences Research Council

Investigator

£151,376

1 December 2001

24 months

Generation of 3D Hyperstructures

Tripos

Principal Investigator

£106,000

1 December 2001

24 months

Use of graph-theoretical methods in computation chemistry for pattern identification

Medical Research Council

Investigator

£49,392

1 May 2001

36 months

Probabilistic prediction of bioactivity

Zeneca Pharmaceuticals

Principal Investigator

£170,251

1 March 2001

36 months

Genome Analysis Using DNA Structure

Biotechnology and Biological Sciences Research Council

Investigator

£134,164

1 January 2001

36 months

Discrete Mathematical Approaches to Chemical Information Retrieval

Parke Davis Neuroscience Research Centre

Principal Investigator

£31,396

1 October 2000

36 months

Professional activities and memberships

Recipient of the Skolnik Award of the American Chemical Society (1993), of the Distinguished Lecturer Award of the New Jersey Chapter of the American Society for Information Science (1997), of the Tony Kent Strix Award of the Institute of Information Scientists (2001), of the Lynch Award of the Chemical Structure Association Trust (2002) of the American Chemical Society Award for Computers in Chemical and Pharmaceutical Research (2005), of the Patterson-Crane Award of the American Chemical Society (2010), and of the Jason Farradane Award of the UK e-Information Group (2012).
Included in Who’s Who in Science and Engineering (1995-) and Who’s Who (2004-).

Editorial board membership

Journal of Documentation
MATCH Communications in Mathematical and in Computer Chemistry

Journal and conference reviewing

A huge range of journals, most recently: Aslib Journal of Information Management; Educational Research and Reviews; Global Knowledge, Memory and Communication; Information Research; Journal of Chemical Information and Modeling; Journal of Documentation; Journal of Organic Chemistry,;MATCH Communications in Mathematical and in Computer Chemistry; Performance Measurement and Metrics