Christopher M. Grulke

Publication Activity (10 Years)

Years Active: 2010-2022
Publications (10 Years): 7

Top Topics

Gene Expression

Machine Learning

Mass Spectrometry

Linear Discriminant

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

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)
Scott S. Kolmar, Christopher M. Grulke
The effect of noise on the predictive limit of QSAR models. J. Cheminformatics 13 (1) (2021)
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) (2019)
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) (2018)
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) (2018)
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) (2017)
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)
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) (2013)
Theo Walker, Christopher M. Grulke, Diane Pozefsky, Alexander Tropsha
Chembench: a cheminformatics workbench. Bioinform. 26 (23) (2010)