OPERA models for predicting physicochemical properties and environmental fate endpoints von Mansouri, Kamel, Grulke, Chris M., Judson, Richard S., Williams, Antony J.

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The CompTox Chemistry Dashboard: a community data resource for environmental chemistry von Williams, Antony J., Grulke, Christopher M., Edwards, Jeff, McEachran, Andrew D., Mansouri, Kamel, Baker, Nancy C., Patlewicz, Grace, Shah, Imran, Wambaugh, John F., Judson, Richard S., Richard, Ann M.

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EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings von Ulrich, Elin M., Sobus, Jon R., Grulke, Christopher M., Richard, Ann M., Newton, Seth R., Strynar, Mark J., Mansouri, Kamel, Williams, Antony J.

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Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening von Aalizadeh, Reza, Alygizakis, Nikiforos A, Schymanski, Emma L, Krauss, Martin, Schulze, Tobias, Ibáñez, María, McEachran, Andrew D, Chao, Alex, Williams, Antony J, Gago-Ferrero, Pablo, Covaci, Adrian, Moschet, Christoph, Young, Thomas M, Hollender, Juliane, Slobodnik, Jaroslav, Thomaidis, Nikolaos S

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Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA von Sobus, Jon R., Wambaugh, John F., Isaacs, Kristin K., Williams, Antony J., McEachran, Andrew D., Richard, Ann M., Grulke, Christopher M., Ulrich, Elin M., Rager, Julia E., Strynar, Mark J., Newton, Seth R.

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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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Sourcing data on chemical properties and hazard data from the US-EPA CompTox Chemicals Dashboard: A practical guide for human risk assessment von Williams, Antony J., Lambert, Jason C., Thayer, Kris, Dorne, Jean-Lou C.M.

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In Silico Prediction of Physicochemical Properties of Environmental Chemicals Using Molecular Fingerprints and Machine Learning von Zang, Qingda, Mansouri, Kamel, Williams, Antony J, Judson, Richard S, Allen, David G, Casey, Warren M, Kleinstreuer, Nicole C

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Suspect screening and non-targeted analysis of drinking water using point-of-use filters von Newton, Seth R., McMahen, Rebecca L., Sobus, Jon R., Mansouri, Kamel, Williams, Antony J., McEachran, Andrew D., Strynar, Mark J.

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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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Identification of “Known Unknowns” Utilizing Accurate Mass Data and ChemSpider von Little, James L., Williams, Antony J., Pshenichnov, Alexey, Tkachenko, Valery

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Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring von Rager, Julia E., Strynar, Mark J., Liang, Shuang, McMahen, Rebecca L., Richard, Ann M., Grulke, Christopher M., Wambaugh, John F., Isaacs, Kristin K., Judson, Richard, Williams, Antony J., Sobus, Jon R.

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Suspect Screening Analysis of Chemicals in Consumer Products von Phillips, Katherine A, Yau, Alice, Favela, Kristin A, Isaacs, Kristin K, McEachran, Andrew, Grulke, Christopher, Richard, Ann M, Williams, Antony J, Sobus, Jon R, Thomas, Russell S, Wambaugh, John F

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Open-source QSAR models for pKa prediction using multiple machine learning approaches von Mansouri, Kamel, Cariello, Neal F., Korotcov, Alexandru, Tkachenko, Valery, Grulke, Chris M., Sprankle, Catherine S., Allen, David, Casey, Warren M., Kleinstreuer, Nicole C., Williams, Antony J.

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Smart Phones, a Powerful Tool in the Chemistry Classroom von Williams, Antony J, Pence, Harry E

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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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Progress towards an OECD reporting framework for transcriptomics and metabolomics in regulatory toxicology von Harrill, Joshua A., Viant, Mark R., Yauk, Carole L., Sachana, Magdalini, Gant, Timothy W., Auerbach, Scott S., Beger, Richard D., Bouhifd, Mounir, O'Brien, Jason, Burgoon, Lyle, Caiment, Florian, Carpi, Donatella, Chen, Tao, Chorley, Brian N., Colbourne, John, Corvi, Raffaella, Debrauwer, Laurent, O'Donovan, Claire, Ebbels, Timothy M.D., Ekman, Drew R., Faulhammer, Frank, Gribaldo, Laura, Hilton, Gina M., Jones, Stephanie P., Kende, Aniko, Lawson, Thomas N., Leite, Sofia B., Leonards, Pim E.G., Luijten, Mirjam, Martin, Alberto, Moussa, Laura, Rudaz, Serge, Schmitz, Oliver, Sobanski, Tomasz, Strauss, Volker, Vaccari, Monica, Vijay, Vikrant, Weber, Ralf J.M., Williams, Antony J., Williams, Andrew, Thomas, Russell S., Whelan, Maurice

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“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies von McEachran, Andrew D., Mansouri, Kamel, Grulke, Chris, Schymanski, Emma L., Ruttkies, Christoph, Williams, Antony J.

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Curation of a list of chemicals in biosolids from EPA National Sewage Sludge Surveys & Biennial Review Reports von Richman, Tess, Arnold, Elyssa, Williams, Antony J.

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A regression-based QSAR-model to predict acute toxicity of aromatic chemicals in tadpoles of the Japanese brown frog (Rana japonica): Calibration, validation, and future developmen... von Toropov, Andrey A., Di Nicola, Matteo R., Toropova, Alla P., Roncaglioni, Alessandra, Carnesecchi, Edoardo, Kramer, Nynke I., Williams, Antony J., Ortiz-Santaliestra, Manuel E., Benfenati, Emilio, Dorne, Jean-Lou C.M.

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