Open-source QSAR models for pKa prediction using multiple machine learning approaches

por 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.
Publicado 2019

An Integrated Chemical Environment to Support 21st-Century Toxicology

por Bell, Shannon M., Phillips, Jason, Sedykh, Alexander, Tandon, Arpit, Sprankle, Catherine, Morefield, Stephen Q., Shapiro, Andy, Allen, David, Shah, Ruchir, Maull, Elizabeth A., Casey, Warren M., Kleinstreuer, Nicole C.
Publicado 2017

Quantitative in vitro to in vivo extrapolation for developmental toxicity potency of valproic acid analogues

por Chang, Xiaoqing, Palmer, Jessica, Lumen, Annie, Lee, Un Jung, Ceger, Patricia, Mansouri, Kamel, Sprankle, Catherine, Donley, Elizabeth, Bell, Shannon, Knudsen, Thomas B., Wambaugh, John, Cook, Bethany, Allen, David, Kleinstreuer, Nicole
Publicado 2022

Evaluation and Optimization of Pharmacokinetic Models for in Vitro to in Vivo Extrapolation of Estrogenic Activity for Environmental Chemicals

por Casey, Warren M., Chang, Xiaoqing, Allen, David G., Ceger, Patricia C., Choksi, Neepa Y., Hsieh, Jui-Hua, Wetmore, Barbara A., Ferguson, Stephen S., DeVito, Michael J., Sprankle, Catherine S., Kleinstreuer, Nicole C.
Publicado 2018