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Journal of Cheminformatics|May 25, 2019
Capturing mixture composition: an open machine-readable format for representing mixed substancesAlex M Clark, Leah R McEwen, Peter Gedeck, et al.ACS Omega|September 9, 2021
Using Machine Learning to Parse Chemical Mixture DescriptionsAlex M Clark, Peter Gedeck, Philip P Cheung, et al.Advanced Drug Delivery Reviews|November 14, 2006
Pharmacophore-based discovery of ligands for drug transportersCheng Chang, Sean Ekins, Praveen Bahadduri, et al.Pharmaceutical Research|December 31, 2008
Hybrid scoring and classification approaches to predict human pregnane X receptor activatorsSandhya Kortagere, Dmitriy Chekmarev, William J Welsh, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|May 23, 2002
Quantitative structure activity relationships for the glucuronidation of simple phenols by expressed human UGT1A6 and UGT1A9Brian T Ethell, Sean Ekins, Jibo Wang, et al.Pharmaceutical Research|April 17, 2008
New predictive models for blood-brain barrier permeability of drug-like moleculesSandhya Kortagere, Dmitriy Chekmarev, William J Welsh, et al.Molecular Pharmaceutics|November 4, 2017
Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data SetsAlexandru Korotcov, Valery Tkachenko, Daniel P Russo, et al.The Journal of Pharmacology and Experimental Therapeutics|March 16, 2012
Molecular determinants of ligand selectivity for the human multidrug and toxin extruder proteins MATE1 and MATE2-KBethzaida Astorga, Sean Ekins, Mark Morales, et al.Biochemical Pharmacology|July 6, 2010
Why we should be vigilant: drug cytotoxicity observed with in vitro transporter inhibition studiesXiaowan Zheng, Lei Diao, Sean Ekins, et al.Journal of Medicinal Chemistry|August 18, 2006
Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniquesSean Ekins, Konstantin V Balakin, Nikolay Savchuk, et al.Pageof 36