TY  - JOUR

T1  - Alignment-Free Molecular Shape Comparison Using Spectral Geometry: The Framework

JO  - Journal of Chemical Information and Modeling

UR  - https://eprints.whiterose.ac.uk/141609/

PY  - 2019/01/28

AU  - Seddon MP

AU  - Cosgrove DA

AU  - Packer MJ

AU  - Gillet VJ

ED  - 

DO  - DOI: 10.1021/acs.jcim.8b00676

VL  - 59

IS  - 1

SP  - 98

EP  - 116

Y2  - 2025/01/13

ER  -