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sean ekins
sean ekins
Collaborations Pharmaceuticals, Inc.
Geverifieerd e-mailadres voor collaborationspharma.com - Homepage
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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
9772007
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
5512007
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
5342019
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
3872000
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
3702017
Dual use of artificial-intelligence-powered drug discovery
F Urbina, F Lentzos, C Invernizzi, S Ekins
Nature machine intelligence 4 (3), 189-191, 2022
3342022
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
The Journal of pharmacology and experimental therapeutics 301 (2), 427-434, 2002
3342002
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
3312011
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
3312006
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
3262001
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
2972000
The next era: deep learning in pharmaceutical research
S Ekins
Pharmaceutical research 33 (11), 2594-2603, 2016
2682016
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
2682002
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
2572008
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
2432005
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
2412002
The role of CYP2B6 in human xenobiotic metabolism
S EKINS, SA WRIGHTON
Drug metabolism reviews 31 (3), 719-754, 1999
2301999
Further characterization of the expression in liver and catalytic activity of CYP2B6
S Ekins, M Vandenbranden, BJ Ring, JS Gillespie, TJ Yang, HV Gelboin, ...
The Journal of pharmacology and experimental therapeutics 286 (3), 1253-1259, 1998
2241998
A pharmacophore for human pregnane X receptor ligands
S Ekins, JA Erickson
Drug Metabolism and Disposition 30 (1), 96-99, 2002
2152002
A bibliometric review of drug repurposing
NC Baker, S Ekins, AJ Williams, A Tropsha
Drug discovery today 23 (3), 661-672, 2018
2132018
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Artikelen 1–20