Predicting undesirable drug interactions with promiscuous proteins in silicoEKINS, Sean.Drug discovery today. 2004, Vol 9, Num 6, pp 276-285, issn 1359-6446, 10 p.Article

Finding Promiscuous Old Drugs for New UsesEKINS, Sean; WILLIAMS, Antony J.Pharmaceutical research. 2011, Vol 28, Num 8, pp 1785-1791, issn 0724-8741, 7 p.Article

A pharmacophore for human pregnane X receptor ligandsEKINS, Sean; ERICKSON, Jon A.Drug metabolism and disposition. 2002, Vol 30, Num 1, pp 96-99, issn 0090-9556Article

When pharmaceutical companies publish large datasets: an abundance of riches or fool's gold?EKINS, Sean; WILLIAMS, Antony J.Drug discovery today. 2010, Vol 15, Num 19-20, pp 812-815, issn 1359-6446, 4 p.Article

Classification of metabolites with kernel-partial least squares (K-PLS)EMBRECHTS, Mark J; EKINS, Sean.Drug metabolism and disposition. 2007, Vol 35, Num 3, pp 325-327, issn 0090-9556, 3 p.Article

Reegineering the pharmaceutical industry by crash-testing moleculesSWAAN, Peter W; EKINS, Sean.Drug discovery today. 2005, Vol 10, Num 17, pp 1191-1200, issn 1359-6446, 10 p.Article

Validating New Tuberculosis Computational Models with Public Whole Cell Screening Aerobic Activity DatasetsEKINS, Sean; FREUNDLICH, Joel S.Pharmaceutical research. 2011, Vol 28, Num 8, pp 1859-1869, issn 0724-8741, 11 p.Article

Postgraduate education and the changing interaction with the pharmaceutical industry: A cross-cultural perspective = L'enseignement supérieur et l'évolution de l'interaction avec l'industrie pharmaceutique: une approche transculturelleEKINS, Sean; MCGOWAN, Richard-J.Foundations of science. 2002, Vol 7, Num 4, pp 413-424, issn 1233-1821, 12 p.Article

Evolving molecules using multi-objective optimization: applying to ADME/ToxEKINS, Sean; HONEYCUTT, J. Dana; METZ, James T et al.Drug discovery today. 2010, Vol 15, Num 11-12, pp 451-460, issn 1359-6446, 10 p.Article

Improving the drug selection and development process for combination devicesHUPCEY, Maggie A. Z; EKINS, Sean.Drug discovery today. 2007, Vol 12, Num 19-20, pp 844-852, issn 1359-6446, 9 p.Article

Fusing Dual-Event Data Sets for Mycobacterium tuberculosis Machine Learning Models and Their EvaluationEKINS, Sean; FREUNDLICH, Joel S; REYNOLDS, Robert C et al.Journal of chemical information and modeling. 2013, Vol 53, Num 11, pp 3054-3063, issn 1549-9596, 10 p.Article

A Predictive Ligand-Based Bayesian Model for Human Drug-Induced Liver InjuryEKINS, Sean; WILLIAMS, Antony J; XU, Jinghai J et al.Drug metabolism and disposition. 2010, Vol 38, Num 12, pp 2302-2308, issn 0090-9556, 7 p.Article

A novel method for generation of signature networks as biomarkers from complex high throughput dataNIKOLSKY, Yuri; EKINS, Sean; NIKOLSKAYA, Tatiana et al.Toxicology letters. 2005, Vol 158, Num 1, pp 20-29, issn 0378-4274, 10 p.Article

Bottlenecks Caused by Software Gaps in miRNA and RNAi ResearchEKINS, Sean; SHIGETA, Ron; BUNIN, Barry A et al.Pharmaceutical research. 2012, Vol 29, Num 7, pp 1717-1721, issn 0724-8741, 5 p.Article

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situationWILLIAMS, Antony J; EKINS, Sean; TKACHENKO, Valery et al.Drug discovery today. 2012, Vol 17, Num 13-14, pp 685-701, issn 1359-6446, 17 p.Article

A hybrid approach to advancing quantitative prediction of tissue distribution of basic drugs in humanPOULIN, Patrick; EKINS, Sean; THEIL, Frank-Peter et al.Toxicology and applied pharmacology. 2011, Vol 250, Num 2, pp 194-212, issn 0041-008X, 19 p.Article

Generation and validation of rapid computational filters for CYP2D6 and CYP3A4EKINS, Sean; BERBAUM, Jennifer; HARRISON, Richard K et al.Drug metabolism and disposition. 2003, Vol 31, Num 9, pp 1077-1080, issn 0090-9556, 4 p.Article

A ligand-based approach to understanding selectivity of nuclear hormone receptors PXR, CAR, FXR, LXRα, and LXRβEKINS, Sean; MIRNY, Leonid; SCHUETZ, Erin G et al.Pharmaceutical research. 2002, Vol 19, Num 12, pp 1788-1800, issn 0724-8741, 13 p.Article

Novel Inhibitors of Human Organic Cation/Carnitine Transporter (hOCTN2) via Computational Modeling and In Vitro TestingLEI DIAO; EKINS, Sean; POLLI, James E et al.Pharmaceutical research. 2009, Vol 26, Num 8, pp 1890-1900, issn 0724-8741, 11 p.Article

Pharmacophore modeling of cytochromes P450DE GROOT, Marcel J; EKINS, Sean.Advanced drug delivery reviews. 2002, Vol 54, Num 3, pp 367-383, issn 0169-409XArticle

Pharmacophore and three-dimensional quantitative structure activity relationship methods for modeling cytochrome P450 active sitesEKINS, Sean; DE GROOT, Marcel J; JONES, Jeffrey P et al.Drug metabolism and disposition. 2001, Vol 29, Num 7, pp 936-944, issn 0090-9556Article

Why we should be vigilant: Drug cytotoxicity observed with in vitro transporter inhibition studiesXIAOWAN ZHENG; LEI DIAO; EKINS, Sean et al.Biochemical pharmacology. 2010, Vol 80, Num 7, pp 1087-1092, issn 0006-2952, 6 p.Article

Molecular Similarity Methods for Predicting Cross-Reactivity With Therapeutic Drug Monitoring ImmunoassaysKRASOWSKI, Matthew D; SIAM, Mohamed G; IYER, Manisha et al.Therapeutic drug monitoring. 2009, Vol 31, Num 3, pp 337-344, issn 0163-4356, 8 p.Article

Computational approaches that predict metabolic intermediate complex formation with CYP3A4 (+b₅)JONES, David R; EKINS, Sean; LANG LI et al.Drug metabolism and disposition. 2007, Vol 35, Num 9, pp 1466-1475, issn 0090-9556, 10 p.Article

Hybrid Scoring and Classification Approaches to Predict Human Pregnane X Receptor ActivatorsKORTAGERE, Sandhya; CHEKMAREV, Dmitriy; WELSH, William J et al.Pharmaceutical research. 2009, Vol 26, Num 4, pp 1001-1011, issn 0724-8741, 11 p.Article