| In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling S Ekins, J Mestres, B Testa British journal of pharmacology 152 (1), 9-20, 2007 | 906 | 2007 |
| In silico pharmacology for drug discovery: applications to targets and beyond S Ekins, J Mestres, B Testa British journal of pharmacology 152 (1), 21-37, 2007 | 514 | 2007 |
| Exploiting machine learning for end-to-end drug discovery and development S Ekins, AC Puhl, KM Zorn, TR Lane, DP Russo, JJ Klein, AJ Hickey, ... Nature materials 18 (5), 435-441, 2019 | 465 | 2019 |
| Progress in predicting human ADME parameters in silico S Ekins, CL Waller, PW Swaan, G Cruciani, SA Wrighton, JH Wikel Journal of pharmacological and toxicological methods 44 (1), 251-272, 2000 | 377 | 2000 |
| Comparison of deep learning with multiple machine learning methods and metrics using diverse drug discovery data sets A Korotcov, V Tkachenko, DP Russo, S Ekins Molecular pharmaceutics 14 (12), 4462-4475, 2017 | 347 | 2017 |
| Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel S Ekins, WJ Crumb, RD Sarazan, JH Wikel, SA Wrighton Journal of Pharmacology and Experimental Therapeutics 301 (2), 427-434, 2002 | 328 | 2002 |
| In silico repositioning of approved drugs for rare and neglected diseases S Ekins, AJ Williams, MD Krasowski, JS Freundlich Drug discovery today 16 (7-8), 298-310, 2011 | 325 | 2011 |
| Pathway mapping tools for analysis of high content data S Ekins, Y Nikolsky, A Bugrim, E Kirillov, T Nikolskaya High content screening: A powerful approach to systems cell biology and drug …, 2006 | 324 | 2006 |
| Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome p450 active sites S Ekins, MJ de Groot, JP Jones Drug metabolism and disposition 29 (7), 936-944, 2001 | 322 | 2001 |
| Present and future in vitro approaches for drug metabolism S Ekins, BJ Ring, J Grace, DJ McRobie-Belle, SA Wrighton Journal of pharmacological and toxicological methods 44 (1), 313-324, 2000 | 284 | 2000 |
| Application of three-dimensional quantitative structure-activity relationships of P-glycoprotein inhibitors and substrates S Ekins, RB Kim, BF Leake, AH Dantzig, EG Schuetz, LB Lan, K Yasuda, ... Molecular pharmacology 61 (5), 974-981, 2002 | 257 | 2002 |
| The next era: deep learning in pharmaceutical research S Ekins Pharmaceutical research 33 (11), 2594-2603, 2016 | 256 | 2016 |
| Design, synthesis, cytoselective toxicity, structure–activity relationships, and pharmacophore of thiazolidinone derivatives targeting drug-resistant lung cancer cells H Zhou, S Wu, S Zhai, A Liu, Y Sun, R Li, Y Zhang, S Ekins, PW Swaan, ... Journal of Medicinal Chemistry 51 (5), 1242-1251, 2008 | 250 | 2008 |
| Dual use of artificial-intelligence-powered drug discovery F Urbina, F Lentzos, C Invernizzi, S Ekins Nature machine intelligence 4 (3), 189-191, 2022 | 240 | 2022 |
| Techniques: application of systems biology to absorption, distribution, metabolism, excretion and toxicity S Ekins, Y Nikolsky, T Nikolskaya Trends in pharmacological sciences 26 (4), 202-209, 2005 | 239 | 2005 |
| Three-dimensional quantitative structure-activity relationships of inhibitors of P-glycoprotein S Ekins, RB Kim, BF Leake, AH Dantzig, EG Schuetz, LB Lan, K Yasuda, ... Molecular pharmacology 61 (5), 964-973, 2002 | 237 | 2002 |
| The role of CYP2B6 in human xenobiotic metabolism S EKINS, SA WRIGHTON Drug metabolism reviews 31 (3), 719-754, 1999 | 231 | 1999 |
| Further characterization of the expression in liver and catalytic activity of CYP2B6 S Ekins, M Vandenbranden, BJ Ring, JS Gillespie, TJ Yang, HV Gelboin, ... Journal of Pharmacology and Experimental Therapeutics 286 (3), 1253-1259, 1998 | 223 | 1998 |
| A pharmacophore for human pregnane X receptor ligands S Ekins, JA Erickson Drug Metabolism and Disposition 30 (1), 96-99, 2002 | 218 | 2002 |
| A bibliometric review of drug repurposing NC Baker, S Ekins, AJ Williams, A Tropsha Drug discovery today 23 (3), 661-672, 2018 | 203 | 2018 |
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