| GALAHAD: 1. Pharmacophore identification by hypermolecular alignment of ligands in 3D NJ Richmond, CA Abrams, PRN Wolohan, E Abrahamian, P Willett, ... Journal of computer-aided molecular design 20, 567-587, 2006 | 237 | 2006 |
| Validity of ligand efficiency metrics CW Murray, DA Erlanson, AL Hopkins, GM Keserü, PD Leeson, ... ACS medicinal chemistry letters 5 (6), 616-618, 2014 | 139 | 2014 |
| Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity G Papadatos, M Alkarouri, VJ Gillet, P Willett, V Kadirkamanathan, ... Journal of chemical information and modeling 50 (10), 1872-1886, 2010 | 138 | 2010 |
| Alignment of three-dimensional molecules using an image recognition algorithm NJ Richmond, P Willett, RD Clark Journal of Molecular Graphics and Modelling 23 (2), 199-209, 2004 | 85 | 2004 |
| Process validation and screen reproducibility in high-throughput screening I Coma, L Clark, E Diez, G Harper, J Herranz, G Hofmann, M Lennon, ... Journal of biomolecular screening 14 (1), 66-76, 2009 | 56 | 2009 |
| Over expression of wild type or a catalytically dead mutant of Sirtuin 6 does not influence NFκB responses R Grimley, O Polyakova, J Vamathevan, J McKenary, B Hayes, C Patel, ... PloS one 7 (7), e39847, 2012 | 35 | 2012 |
| Solvation of metal nanoparticles in a subcritical—supercritical fluid: a computer simulation study M Lal, M Plummer, NJ Richmond, W Smith The Journal of Physical Chemistry B 108 (19), 6052-6061, 2004 | 35 | 2004 |
| A stratification for varieties of modules NJ Richmond Bulletin of the London Mathematical Society 33 (5), 565-577, 2001 | 17 | 2001 |
| Unsupervised 3D ring template searching as an ideas generator for scaffold hopping: use of the LAMDA, RigFit, and field-based similarity search (FBSS) methods M Bohl, B Loeprecht, B Wendt, T Heritage, NJ Richmond, P Willett Journal of chemical information and modeling 46 (5), 1882-1890, 2006 | 13 | 2006 |
| Intrinsic uncertainties and where to find them F Farina, L Phillips, NJ Richmond ICML 2021 Workshop on Uncertainty and Robustness in Deep Learning, 2021 | | 2021 |
