Machine Learning Models and Pathway Genome Data Base for Trypanosoma cruzi Drug Discovery von Ekins, Sean, de Siqueira-Neto, Jair Lage, McCall, Laura-Isobel, Sarker, Malabika, Yadav, Maneesh, Ponder, Elizabeth L, Kallel, E Adam, Kellar, Danielle, Chen, Steven, Arkin, Michelle, Bunin, Barry A, McKerrow, James H, Talcott, Carolyn

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Enhancing hit identification in Mycobacterium tuberculosis drug discovery using validated dual-event Bayesian models von Ekins, Sean, Reynolds, Robert C, Franzblau, Scott G, Wan, Baojie, Freundlich, Joel S, Bunin, Barry A

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Bayesian models for screening and TB Mobile for target inference with Mycobacterium tuberculosis von Ekins, Sean, Casey, Allen C, Roberts, David, Parish, Tanya, Bunin, Barry A

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Thermodynamic Proxies to Compensate for Biases in Drug Discovery Methods von Ekins, Sean, Litterman, Nadia K., Lipinski, Christopher A., Bunin, Barry A.

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Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB) von Ekins, Sean, Spektor, Anna Coulon, Clark, Alex M., Dole, Krishna, Bunin, Barry A.

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Computational Prediction and Validation of an Expert’s Evaluation of Chemical Probes von Litterman, Nadia K, Lipinski, Christopher A, Bunin, Barry A, Ekins, Sean

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Capturing mixture composition: an open machine-readable format for representing mixed substances von Clark, Alex M., McEwen, Leah R., Gedeck, Peter, Bunin, Barry A.

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Ten simple rules for cultivating open science and collaborative R&D von Masum, Hassan, Rao, Aarthi, Good, Benjamin M, Todd, Matthew H, Edwards, Aled M, Chan, Leslie, Bunin, Barry A, Su, Andrew I, Thomas, Zakir, Bourne, Philip E

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Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery von Hohman, Moses, Gregory, Kellan, Chibale, Kelly, Smith, Peter J., Ekins, Sean, Bunin, Barry

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Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties von GUPTA, Rishi R, GIFFORD, Eric M, LISTON, Ted, WALLER, Chris L, HOHMAN, Moses, BUNIN, Barry A, EKINS, Sean

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Using Machine Learning to Parse Chemical Mixture Descriptions von Clark, Alex M, Gedeck, Peter, Cheung, Philip P, Bunin, Barry A

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A collaborative database and computational models for tuberculosis drug discovery von Ekins, Sean, Bradford, Justin, Dole, Krishna, Spektor, Anna, Gregory, Kellan, Blondeau, David, Hohman, Moses, Bunin, Barry A

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Data Mining and Computational Modeling of High-Throughput Screening Datasets von Ekins, Sean, Clark, Alex M., Dole, Krishna, Gregory, Kellan, Mcnutt, Andrew M., Spektor, Anna Coulon, Weatherall, Charlie, Litterman, Nadia K., Bunin, Barry A.

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Alternative business models for drug discovery von Bunin, Barry A., Ekins, Sean

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Combining Cheminformatics Methods and Pathway Analysis to Identify Molecules with Whole-Cell Activity Against Mycobacterium Tuberculosis von Sarker, Malabika, Talcott, Carolyn, Madrid, Peter, Chopra, Sidharth, Bunin, Barry A., Lamichhane, Gyanu, Freundlich, Joel S., Ekins, Sean

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Perspectives on Cyber Security for Offshore Oil and Gas Assets von Progoulakis, Iosif, Nikitakos, Nikitas, Rohmeyer, Paul, Bunin, Barry, Dalaklis, Dimitrios, Karamperidis, Stavros

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Bottlenecks Caused by Software Gaps in miRNA and RNAi Research von Ekins, Sean, Shigeta, Ron, Bunin, Barry A.

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Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis von Ekins, Sean, Kaneko, Takushi, Lipinski, Christopher A, Bradford, Justin, Dole, Krishna, Spektor, Anna, Gregory, Kellan, Blondeau, David, Ernst, Sylvia, Yang, Jeremy, Goncharoff, Nicko, Hohman, Moses M, Bunin, Barry A

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The Collaborative Drug Discovery (CDD) Database von Ekins, Sean, Bunin, Barry A.

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Chemical Space: Missing Pieces in Cheminformatics von Ekins, Sean, Gupta, Rishi R., Gifford, Eric, Bunin, Barry A., Waller, Chris L.

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