Christopher M Grulke
Christopher M Grulke
Center of Computational Toxicology and Exposure, Environmental Protection Agency
Verified email at
Cited by
Cited by
ToxCast chemical landscape: paving the road to 21st century toxicology
AM Richard, RS Judson, KA Houck, CM Grulke, P Volarath, ...
Chemical research in toxicology 29 (8), 1225-1251, 2016
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
AJ Williams, CM Grulke, J Edwards, AD McEachran, K Mansouri, ...
Journal of cheminformatics 9 (1), 61, 2017
CERAPP: collaborative estrogen receptor activity prediction project
K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni, A Tropsha, A Varnek, ...
Environmental health perspectives 124 (7), 1023-1033, 2016
Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring
JE Rager, MJ Strynar, S Liang, RL McMahen, AM Richard, CM Grulke, ...
Environment international 88, 269-280, 2016
SHEDS-HT: an integrated probabilistic exposure model for prioritizing exposures to chemicals with near-field and dietary sources
KK Isaacs, WG Glen, P Egeghy, MR Goldsmith, L Smith, D Vallero, ...
Environmental science & technology 48 (21), 12750-12759, 2014
Development of a consumer product ingredient database for chemical exposure screening and prioritization
MR Goldsmith, CM Grulke, RD Brooks, TR Transue, YM Tan, A Frame, ...
Food and chemical toxicology 65, 269-279, 2014
OPERA models for predicting physicochemical properties and environmental fate endpoints
K Mansouri, CM Grulke, RS Judson, AJ Williams
Journal of cheminformatics 10 (1), 10, 2018
The next generation blueprint of computational toxicology at the US Environmental Protection Agency
RS Thomas, T Bahadori, TJ Buckley, J Cowden, C Deisenroth, ...
Toxicological Sciences 169 (2), 317-332, 2019
Chembench: a cheminformatics workbench
T Walker, CM Grulke, D Pozefsky, A Tropsha
Bioinformatics 26 (23), 3000-3001, 2010
Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA
JR Sobus, JF Wambaugh, KK Isaacs, AJ Williams, AD McEachran, ...
Journal of exposure science & environmental epidemiology 28 (5), 411-426, 2018
An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling
K Mansouri, CM Grulke, AM Richard, RS Judson, AJ Williams
SAR and QSAR in Environmental Research 27 (11), 911-937, 2016
Suspect screening analysis of chemicals in consumer products
KA Phillips, A Yau, KA Favela, KK Isaacs, A McEachran, C Grulke, ...
Environmental science & technology 52 (5), 3125-3135, 2018
High-throughput screening of chemicals as functional substitutes using structure-based classification models
KA Phillips, JF Wambaugh, CM Grulke, KL Dionisio, KK Isaacs
Green Chemistry 19 (4), 1063-1074, 2017
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products
KL Dionisio, K Phillips, PS Price, CM Grulke, A Williams, D Biryol, T Hong, ...
Scientific data 5, 180125, 2018
EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings
EM Ulrich, JR Sobus, CM Grulke, AM Richard, SR Newton, MJ Strynar, ...
Analytical and bioanalytical chemistry 411 (4), 853-866, 2019
Development, validation, and use of quantitative structure− activity relationship models of 5-Hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and …
R Hajjo, CM Grulke, A Golbraikh, V Setola, XP Huang, BL Roth, ...
Journal of medicinal chemistry 53 (21), 7573-7586, 2010
“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies
AD McEachran, K Mansouri, C Grulke, EL Schymanski, C Ruttkies, ...
Journal of cheminformatics 10 (1), 45, 2018
A chemical category-based prioritization approach for selecting 75 per-and polyfluoroalkyl substances (PFAS) for tiered toxicity and toxicokinetic testing
G Patlewicz, AM Richard, AJ Williams, CM Grulke, R Sams, J Lambert, ...
Environmental health perspectives 127 (01), 014501, 2019
Prediction of aquatic toxicity mode of action using linear discriminant and random forest models
TM Martin, CM Grulke, DM Young, CL Russom, NY Wang, CR Jackson, ...
Journal of chemical information and modeling 53 (9), 2229-2239, 2013
Developing a physiologically-based pharmacokinetic model knowledgebase in support of provisional model construction
J Lu, MR Goldsmith, CM Grulke, DT Chang, RD Brooks, JA Leonard, ...
PLoS computational biology 12 (2), e1004495, 2016
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