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ORCIDChristopher M. Grulke
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Journal Articles
- 2022
[j9]Joseph L. Bundy, Richard S. Judson, Antony J. Williams
, Christopher M. Grulke, Imran Shah, Logan J. Everett:
Predicting molecular initiating events using chemical target annotations and gene expression. BioData Min. 15(1) (2022)- 2021
- [j8]Scott S. Kolmar, Christopher M. Grulke:
The effect of noise on the predictive limit of QSAR models. J. Cheminformatics 13(1): 92 (2021) - 2019
- [j7]Kamel Mansouri, Neal F. Cariello, Alexandru Korotcov, Valery Tkachenko, Christopher M. Grulke, Catherine S. Sprankle, David G. Allen, Warren M. Casey, Nicole C. Kleinstreuer, Antony J. Williams:
Open-source QSAR models for pKa prediction using multiple machine learning approaches. J. Cheminformatics 11(1): 60:1-60:20 (2019) - 2018
- [j6]Kamel Mansouri, Christopher M. Grulke, Richard S. Judson, Antony J. Williams:
OPERA models for predicting physicochemical properties and environmental fate endpoints. J. Cheminformatics 10(1): 10:1-10:19 (2018) - [j5]Andrew D. McEachran, Kamel Mansouri, Christopher M. Grulke, Emma Schymanski, Christoph Ruttkies, Antony J. Williams:
"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies. J. Cheminformatics 10(1): 45:1-45:16 (2018) - 2017
- [j4]Antony J. Williams, Christopher M. Grulke, Jeff Edwards, Andrew D. McEachran, Kamel Mansouri, Nancy C. Baker, Grace Patlewicz, Imran Shah, John Wambaugh, Richard S. Judson, Ann M. Richard:
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry. J. Cheminformatics 9(1): 61:1-61:27 (2017) - 2016
- [j3]Jingtao Lu, Michael-Rock Goldsmith, Christopher M. Grulke, Daniel T. Chang, Raina D. Brooks, Jeremy A. Leonard, Martin B. Phillips, Ethan D. Hypes, Matthew J. Fair, Rogelio Tornero-Velez, Jeffre Johnson, Curtis C. Dary, Yu-Mei Tan:
Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction. PLoS Comput. Biol. 12(2) (2016) - 2013
- [j2]Todd Martin, Christopher M. Grulke, Douglas M. Young, Christine L. Russom, Nina Y. Wang, Crystal R. Jackson, Mace G. Barron:
Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models. J. Chem. Inf. Model. 53(9): 2229-2239 (2013) - 2010
- [j1]Theo Walker, Christopher M. Grulke, Diane Pozefsky, Alexander Tropsha:
Chembench: a cheminformatics workbench. Bioinform. 26(23): 3000-3001 (2010)
Coauthor Index
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