Exploiting machine learning for end-to-end drug discovery and development von Ekins, Sean, Puhl, Ana C., Zorn, Kimberley M., Lane, Thomas R., Russo, Daniel P., Klein, Jennifer J., Hickey, Anthony J., Clark, Alex M.

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The Next Era: Deep Learning in Pharmaceutical Research von Ekins, Sean

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Computational Toxicology: Risk Assessment for Chemicals von Sean Ekins, Sean Ekins

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Assessment of Substrate-Dependent Ligand Interactions at the Organic Cation Transporter OCT2 Using Six Model Substrates von Sandoval, Philip J, Zorn, Kimberley M, Clark, Alex M, Ekins, Sean, Wright, Stephen H

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Quantum Machine Learning Algorithms for Drug Discovery Applications von Batra, Kushal, Zorn, Kimberley M, Foil, Daniel H, Minerali, Eni, Gawriljuk, Victor O, Lane, Thomas R, Ekins, Sean

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Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI) von Minerali, Eni, Foil, Daniel H, Zorn, Kimberley M, Lane, Thomas R, Ekins, Sean

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In silico repositioning of approved drugs for rare and neglected diseases von Ekins, Sean, Williams, Antony J., Krasowski, Matthew D., Freundlich, Joel S.

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The commoditization of AI for molecule design von Urbina, Fabio, Ekins, Sean

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Computational toxicology: risk assessment for pharmaceutical and environmental chemicals von Ekins, Sean

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Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation von Williams, Antony J., Ekins, Sean, Tkachenko, Valery

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Ten simple rules of live tweeting at scientific conferences von Ekins, Sean, Perlstein, Ethan O

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Structure–Activity Relationship for FDA Approved Drugs As Inhibitors of the Human Sodium Taurocholate Cotransporting Polypeptide (NTCP) von Dong, Zhongqi, Ekins, Sean, Polli, James E

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Multifaceted roles of ultra-rare and rare disease patients/parents in drug discovery von Wood, Jill, Sames, Lori, Moore, Allison, Ekins, Sean

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Lack of an Effect of Polysorbate 80 on Intestinal Drug Permeability in Humans von Metry, Melissa, Krug, Samuel A., Karra, Vijaya Kumari, Ekins, Sean, Hoag, Stephen W., Kane, Maureen A., Fink, Jeffrey C., Polli, James E.

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Comparison of Machine Learning Models for the Androgen Receptor von Zorn, Kimberley M, Foil, Daniel H, Lane, Thomas R, Hillwalker, Wendy, Feifarek, David J, Jones, Frank, Klaren, William D, Brinkman, Ashley M, Ekins, Sean

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Molecular determinants of ligand selectivity for the human multidrug and toxin extruder proteins MATE1 and MATE2-K von Astorga, Bethzaida, Ekins, Sean, Morales, Mark, Wright, Stephen H

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UV-adVISor: Attention-Based Recurrent Neural Networks to Predict UV–Vis Spectra von Urbina, Fabio, Batra, Kushal, Luebke, Kevin J, White, Jason D, Matsiev, Daniel, Olson, Lori L, Malerich, Jeremiah P, Hupcey, Maggie A. Z, Madrid, Peter B, Ekins, Sean

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Cross-reactivity of steroid hormone immunoassays: clinical significance and two-dimensional molecular similarity prediction von Krasowski, Matthew D, Drees, Denny, Morris, Cory S, Maakestad, Jon, Blau, John L, Ekins, Sean

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Dispensing processes impact apparent biological activity as determined by computational and statistical analyses von Ekins, Sean, Olechno, Joe, Williams, Antony J

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Synergistic drug combinations and machine learning for drug repurposing in chordoma von Anderson, Edward, Havener, Tammy M., Zorn, Kimberley M., Foil, Daniel H., Lane, Thomas R., Capuzzi, Stephen J., Morris, Dave, Hickey, Anthony J., Drewry, David H., Ekins, Sean

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