Progress towards a public chemogenomic set for protein kinases and a call for contributions von Drewry, David H, Wells, Carrow I, Andrews, David M, Angell, Richard, Al-Ali, Hassan, Axtman, Alison D, Capuzzi, Stephen J, Elkins, Jonathan M, Ettmayer, Peter, Frederiksen, Mathias, Gileadi, Opher, Gray, Nathanael, Hooper, Alice, Knapp, Stefan, Laufer, Stefan, Luecking, Ulrich, Michaelides, Michael, Müller, Susanne, Muratov, Eugene, Denny, R Aldrin, Saikatendu, Kumar S, Treiber, Daniel K, Zuercher, William J, Willson, Timothy M

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Alarms about structural alerts von Alves, Vinicius, Muratov, Eugene, Capuzzi, Stephen, Politi, Regina, Low, Yen, Braga, Rodolpho, Zakharov, Alexey V, Sedykh, Alexander, Mokshyna, Elena, Farag, Sherif, Andrade, Carolina, Kuz'min, Victor, Fourches, Denis, Tropsha, Alexander

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Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models von Alves, Vinicius M, Golbraikh, Alexander, Capuzzi, Stephen J, Liu, Kammy, Lam, Wai In, Korn, Daniel Robert, Pozefsky, Diane, Andrade, Carolina Horta, Muratov, Eugene N, Tropsha, Alexander

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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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Design and Profiling of a Subcellular Targeted Optogenetic cAMP-Dependent Protein Kinase von O'Banion, Colin P., Priestman, Melanie A., Hughes, Robert M., Herring, Laura E., Capuzzi, Stephen J., Lawrence, David S.

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Phantom PAINS: Problems with the Utility of Alerts for Pan‑Assay INterference CompoundS von Capuzzi, Stephen J, Muratov, Eugene N, Tropsha, Alexander

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Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors von Capuzzi, Stephen J, Sun, Wei, Muratov, Eugene N, Martínez-Romero, Carles, He, Shihua, Zhu, Wenjun, Li, Hao, Tawa, Gregory, Fisher, Ethan G, Xu, Miao, Shinn, Paul, Qiu, Xiangguo, García-Sastre, Adolfo, Zheng, Wei, Tropsha, Alexander

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Knowledge-based approaches to drug discovery for rare diseases von Alves, Vinicius M., Korn, Daniel, Pervitsky, Vera, Thieme, Andrew, Capuzzi, Stephen J., Baker, Nancy, Chirkova, Rada, Ekins, Sean, Muratov, Eugene N., Hickey, Anthony, Tropsha, Alexander

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Modernization of Enoxaparin Molecular Weight Determination Using Homogeneous Standards von Arnold, Katelyn M, Capuzzi, Stephen J, Xu, Yongmei, Muratov, Eugene N, Carrick, Kevin, Szajek, Anita Y, Tropsha, Alexander, Liu, Jian

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QSAR Modeling of Tox21 Challenge Stress Response and Nuclear Receptor Signaling Toxicity Assays von Capuzzi, Stephen J., Politi, Regina, Isayev, Olexandr, Farag, Sherif, Tropsha, Alexander

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Chemotext: A Publicly Available Web Server for Mining Drug–Target–Disease Relationships in PubMed von Capuzzi, Stephen J, Thornton, Thomas E, Liu, Kammy, Baker, Nancy, Lam, Wai In, O’Banion, Colin P, Muratov, Eugene N, Pozefsky, Diane, Tropsha, Alexander

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Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility" von Alves, Vinicius M, Borba, Joyce, Capuzzi, Stephen J, Muratov, Eugene, Andrade, Carolina H, Rusyn, Ivan, Tropsha, Alexander

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Chembench: A Publicly Accessible, Integrated Cheminformatics Portal von Capuzzi, Stephen J, Kim, Ian Sang-June, Lam, Wai In, Thornton, Thomas E, Muratov, Eugene N, Pozefsky, Diane, Tropsha, Alexander

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Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds von Alves, Vinicius M., Yasgar, Adam, Wellnitz, James, Rai, Ganesha, Rath, Marielle, Braga, Rodolpho C., Capuzzi, Stephen J., Simeonov, Anton, Muratov, Eugene N., Zakharov, Alexey V., Tropsha, Alexander

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Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6 H -benzo[ e ]pyrimido[5,4- b ][1,4]diazepin-6-one Scaffold von Ferguson, Fleur M, Liu, Yan, Harshbarger, Wayne, Huang, Ling, Wang, Jinhua, Deng, Xianming, Capuzzi, Stephen J, Muratov, Eugene N, Tropsha, Alexander, Muthuswamy, Senthil, Westover, Kenneth D, Gray, Nathanael S

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Synthesis and Structure–Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro‑6H‑benzo[e]pyrimido[5,4‑b][1,4]diazepin-6-one Scaffold von Ferguson, Fleur M, Liu, Yan, Harshbarger, Wayne, Huang, Ling, Wang, Jinhua, Deng, Xianming, Capuzzi, Stephen J, Muratov, Eugene N, Tropsha, Alexander, Muthuswamy, Senthil, Westover, Kenneth D, Gray, Nathanael S

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SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules von Alves, Vinicius M, Capuzzi, Stephen J, Braga, Rodolpho C, Korn, Daniel, Hochuli, Joshua E, Bowler, Kyle H, Yasgar, Adam, Rai, Ganesha, Simeonov, Anton, Muratov, Eugene N, Zakharov, Alexey V, Tropsha, Alexander

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SGC-GAK-1: A Chemical Probe for Cyclin G Associated Kinase (GAK) von Asquith, Christopher R. M, Berger, Benedict-Tilman, Wan, Jing, Bennett, James M, Capuzzi, Stephen J, Crona, Daniel J, Drewry, David H, East, Michael P, Elkins, Jonathan M, Fedorov, Oleg, Godoi, Paulo H, Hunter, Debra M, Knapp, Stefan, Müller, Susanne, Torrice, Chad D, Wells, Carrow I, Earp, H. Shelton, Willson, Timothy M, Zuercher, William J

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Defining clinical outcome pathways von Korn, Daniel, Thieme, Andrew J., Alves, Vinicius M., Yeakey, Michael, Borba, Joyce V.V.B., Capuzzi, Stephen J., Fecho, Karamarie, Bizon, Chris, Edwards, Stephen W., Chirkova, Rada, Colvis, Christine M., Southall, Noel T., Austin, Christopher P., Muratov, Eugene N., Tropsha, Alexander

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QSAR models of human data can enrich or replace LLNA testing for human skin sensitization von Alves, Vinicius M, Capuzzi, Stephen J, Muratov, Eugene, Braga, Rodolpho C, Thornton, Thomas, Fourches, Denis, Strickland, Judy, Kleinstreuer, Nicole, Andrade, Carolina H, Tropsha, Alexander

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