| QSAR modeling: where have you been? Where are you going to? A Cherkasov, EN Muratov, D Fourches, A Varnek, II Baskin, M Cronin, ... Journal of medicinal chemistry 57 (12), 4977-5010, 2014 | 2033 | 2014 |
| A general and fast scoring function for protein− ligand interactions: a simplified potential approach I Muegge, YC Martin Journal of medicinal chemistry 42 (5), 791-804, 1999 | 1393 | 1999 |
| Do structurally similar molecules have similar biological activity? YC Martin, JL Kofron, LM Traphagen Journal of medicinal chemistry 45 (19), 4350-4358, 2002 | 1102 | 2002 |
| A bioavailability score YC Martin Journal of medicinal chemistry 48 (9), 3164-3170, 2005 | 926 | 2005 |
| Use of structure− activity data to compare structure-based clustering methods and descriptors for use in compound selection RD Brown, YC Martin Journal of Chemical Information and Computer Sciences 36 (3), 572-584, 1996 | 818 | 1996 |
| Quantitative drug design: a critical introduction YC Martin CRC Press, 2010 | 804 | 2010 |
| Utilization of operational schemes for analog synthesis in drug design JG Topliss Journal of medicinal chemistry 15 (10), 1006-1011, 1972 | 643 | 1972 |
| A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists YC Martin, MG Bures, EA Danaher, J DeLazzer, I Lico, PA Pavlik Journal of computer-aided molecular design 7, 83-102, 1993 | 548 | 1993 |
| The information content of 2D and 3D structural descriptors relevant to ligand-receptor binding RD Brown, YC Martin Journal of Chemical Information and Computer Sciences 37 (1), 1-9, 1997 | 492 | 1997 |
| 3D database searching in drug design YC Martin Journal of Medicinal Chemistry 35 (12), 2145-2154, 1992 | 435 | 1992 |
| Novel 3-pyridyl ethers with subnanomolar affinity for central neuronal nicotinic acetylcholine receptors MA Abreo, NH Lin, DS Garvey, DE Gunn, AM Hettinger, JT Wasicak, ... Journal of medicinal chemistry 39 (4), 817-825, 1996 | 308 | 1996 |
| A practitioner's perspective of the role of quantitative structure-activity analysis in medicinal chemistry YC Martin Journal of medicinal chemistry 24 (3), 229-237, 1981 | 303 | 1981 |
| Let’s not forget tautomers YC Martin Journal of computer-aided molecular design 23, 693-704, 2009 | 271 | 2009 |
| ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional … JH Van Drie, D Weininger, YC Martin Journal of Computer-Aided Molecular Design 3, 225-251, 1989 | 267 | 1989 |
| 3D QSAR in drug design. G Folkers, H Kubinyi, YC Martin Kluwer Academic, 2002 | 260 | 2002 |
| Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein I Muegge, YC Martin, PJ Hajduk, SW Fesik Journal of medicinal chemistry 42 (14), 2498-2503, 1999 | 198 | 1999 |
| Quantitative structure-activity relationships of drugs J Topliss Elsevier, 2012 | 197 | 2012 |
| Glossary of terms used in computational drug design (IUPAC Recommendations 1997) H Van de Waterbeemd, RE Carter, G Grassy, H Kubinyi, YC Martin, ... Pure and applied chemistry 69 (5), 1137-1152, 1997 | 173 | 1997 |
| Application of belief theory to similarity data fusion for use in analog searching and lead hopping SW Muchmore, DA Debe, JT Metz, SP Brown, YC Martin, PJ Hajduk Journal of chemical information and modeling 48 (5), 941-948, 2008 | 167 | 2008 |
| Designing combinatorial library mixtures using a genetic algorithm RD Brown, YC Martin Journal of medicinal chemistry 40 (15), 2304-2313, 1997 | 163 | 1997 |
