Chembench: a cheminformatics workbench. - Theo Walker; Christopher M. Grulke; Diane Pozefsky; Alexander Tropsha (Bioinform., 2010)

Development and Extension of Cheminformatics Techniques for Integration of Diverse Data to Enhance Drug Discovery. - Christopher M. Grulke (2011)

Prediction of Aquatic Toxicity Mode of Action Using Linear Discriminant and Random Forest Models. - Todd M. Martin; Christopher M. Grulke; Douglas M. Young; Christine L. Russom; Nina Y. Wang; Crystal R. Jackson; Mace G. Barron (J. Chem. Inf. Model., 2013)

Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction. - 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; et al. (PLoS Comput. Biol., 2016)

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry. - 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 (J. Cheminformatics, 2017)

OPERA models for predicting physicochemical properties and environmental fate endpoints. - Kamel Mansouri; Christopher M. Grulke; Richard S. Judson; Antony J. Williams (J. Cheminformatics, 2018)

"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies. - Andrew D. McEachran; Kamel Mansouri; Christopher M. Grulke; Emma Schymanski; Christoph Ruttkies; Antony J. Williams (J. Cheminformatics, 2018)

Open-source QSAR models for pKa prediction using multiple machine learning approaches. - 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 (J. Cheminformatics, 2019)

The effect of noise on the predictive limit of QSAR models. - Scott S. Kolmar; Christopher M. Grulke (J. Cheminformatics, 2021)

Predicting molecular initiating events using chemical target annotations and gene expression. - Joseph L. Bundy; Richard S. Judson; Antony J. Williams; Christopher M. Grulke; Imran Shah; Logan J. Everett (BioData Min., 2022)