| Neighborhood behavior: a useful concept for validation of “molecular diversity” descriptors DE Patterson, RD Cramer, AM Ferguson, RD Clark, LE Weinberger Journal of medicinal chemistry 39 (16), 3049-3059, 1996 | 632 | 1996 |
| Consensus scoring for ligand/protein interactions RD Clark, A Strizhev, JM Leonard, JF Blake, JB Matthew Journal of Molecular Graphics and Modelling 20 (4), 281-295, 2002 | 550 | 2002 |
| A simplified method for the detection of neomycin phosphotransferase II activity in transformed plant tissues RE McDonnell, RD Clark, WA Smith, MA Hinchee Plant Molecular Biology Reporter 5, 380-386, 1987 | 238 | 1987 |
| 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 | 236 | 2006 |
| OptiSim: an extended dissimilarity selection method for finding diverse representative subsets RD Clark Journal of Chemical Information and Computer Sciences 37 (6), 1181-1188, 1997 | 209 | 1997 |
| Bioisosterism as a molecular diversity descriptor: Steric fields of single “topomeric” conformers RD Cramer, RD Clark, DE Patterson, AM Ferguson Journal of medicinal chemistry 39 (16), 3060-3069, 1996 | 175 | 1996 |
| Statistical variation in progressive scrambling RD Clark, PC Fox Journal of computer-aided molecular design 18 (7), 563-576, 2004 | 159 | 2004 |
| “Lead hopping”. Validation of topomer similarity as a superior predictor of similar biological activities RD Cramer, RJ Jilek, S Guessregen, SJ Clark, B Wendt, RD Clark Journal of medicinal chemistry 47 (27), 6777-6791, 2004 | 139 | 2004 |
| Virtual compound libraries: a new approach to decision making in molecular discovery research RD Cramer, DE Patterson, RD Clark, F Soltanshahi, MS Lawless Journal of chemical information and computer sciences 38 (6), 1010-1023, 1998 | 127 | 1998 |
| Managing bias in ROC curves RD Clark, DJ Webster-Clark Journal of computer-aided molecular design 22, 141-146, 2008 | 122 | 2008 |
| SYBYL line notation (SLN): a single notation to represent chemical structures, queries, reactions, and virtual libraries RW Homer, J Swanson, RJ Jilek, T Hurst, RD Clark Journal of chemical information and modeling 48 (12), 2294-2307, 2008 | 115 | 2008 |
| Association of ferredoxin-NADP+ oxidoreductase with the chloroplast cytochrome bf complex RD Clark, MJ Hawkesford, SJ Coughlan, J Bennett, G Hind FEBS letters 174 (1), 137-142, 1984 | 111 | 1984 |
| Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project M Honma, A Kitazawa, A Cayley, R Williams, C Barber, T Hanser, ... Mutagenesis 34 (1), 3-16, 2019 | 104 | 2019 |
| Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction R Fraczkiewicz, M Lobell, AH Göller, U Krenz, R Schoenneis, RD Clark, ... Journal of chemical information and modeling 55 (2), 389-397, 2015 | 102 | 2015 |
| Predicting p K a by molecular tree structured fingerprints and PLS L Xing, RC Glen, RD Clark Journal of chemical information and computer sciences 43 (3), 870-879, 2003 | 93 | 2003 |
| 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 |
| Boosted leave-many-out cross-validation: the effect of training and test set diversity on PLS statistics RD Clark Journal of computer-aided molecular design 17, 265-275, 2003 | 74 | 2003 |
| Characterization of the light-driven sodium pump of Halobacterium halobium. Consequences of sodium efflux as the primary light-driven event. RE MacDonald, RV Greene, RD Clark, EV Lindley Journal of Biological Chemistry 254 (23), 11831-11838, 1979 | 74 | 1979 |
| Efficient generation, storage, and manipulation of fully flexible pharmacophore multiplets and their use in 3-D similarity searching E Abrahamian, PC Fox, L Nærum, IT Christensen, H Thøgersen, RD Clark Journal of chemical information and computer sciences 43 (2), 458-468, 2003 | 70 | 2003 |
| A marriage made in torsional space: using GALAHAD models to drive pharmacophore multiplet searches JK Shepphird, RD Clark Journal of computer-aided molecular design 20, 763-771, 2006 | 69 | 2006 |
Richard CramerVerified email at tripos.com
