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Computational Toxicology (Amsterdam, Netherlands)|April 7, 2022
Comparing the performance and coverage of selected <i>in silico</i> (liver) metabolism tools relative to reported studies in the literature to inform analogue selection in read-across: A case studyMatthew Boyce, Brian Meyer, Chris Grulke, et al.Biodata Mining|March 5, 2022
Predicting molecular initiating events using chemical target annotations and gene expressionJoseph L Bundy, Richard Judson, Antony J Williams, et al.Journal of Cheminformatics|September 1, 2018
"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studiesAndrew D McEachran, Kamel Mansouri, Chris Grulke, et al.Scientific Data|August 4, 2019
Linking in silico MS/MS spectra with chemistry data to improve identification of unknownsAndrew D McEachran, Ilya Balabin, Tommy Cathey, et al.Archives of Toxicology|October 28, 2017
Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariatesLisa Truong, Gladys Ouedraogo, LyLy Pham, et al.Pageof 1