| Year |
Citation |
Score |
| 2022 |
Isaacs KK, Wall JT, Williams AR, Hobbie KA, Sobus JR, Ulrich E, Lyons D, Dionisio KL, Williams AJ, Grulke C, Foster CA, McCoy J, Bevington C. A harmonized chemical monitoring database for support of exposure assessments. Scientific Data. 9: 314. PMID 35710792 DOI: 10.1038/s41597-022-01365-8 |
0.306 |
|
| 2021 |
Thompson CV, Firman JW, Goldsmith MR, Grulke CM, Tan YM, Paini A, Penson PE, Sayre RR, Webb S, Madden JC. A Systematic Review of Published Physiologically based Kinetic Models and an Assessment of their Chemical Space Coverage. Alternatives to Laboratory Animals : Atla. 2611929211060264. PMID 34836462 DOI: 10.1177/02611929211060264 |
0.338 |
|
| 2021 |
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, ... ... Grulke CM, et al. Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite. Environmental Health Perspectives. 129: 109001. PMID 34647794 DOI: 10.1289/EHP10369 |
0.495 |
|
| 2021 |
Mansouri K, Karmaus A, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, ... ... Grulke CM, et al. Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite. Environmental Health Perspectives. 129: 79001. PMID 34242083 DOI: 10.1289/EHP9883 |
0.495 |
|
| 2021 |
Mansouri K, Karmaus A, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, ... ... Grulke CM, et al. Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite. Environmental Health Perspectives. 129: 79001. PMID 34242083 DOI: 10.1289/EHP9883 |
0.495 |
|
| 2021 |
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, ... ... Grulke CM, et al. CATMoS: Collaborative Acute Toxicity Modeling Suite. Environmental Health Perspectives. 129: 47013. PMID 33929906 DOI: 10.1289/EHP8495 |
0.542 |
|
| 2020 |
Richard AM, Huang R, Waidyanatha S, Shinn P, Collins BJ, Thillainadarajah I, Grulke CM, Williams AJ, Lougee RR, Judson RS, Houck KA, Shobair M, Yang C, Rathman JF, Yasgar A, et al. The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology. Chemical Research in Toxicology. PMID 33140634 DOI: 10.1021/acs.chemrestox.0c00264 |
0.326 |
|
| 2020 |
McEachran AD, Chao A, Al-Ghoul H, Lowe C, Grulke C, Sobus JR, Williams AJ. Revisiting Five Years of CASMI Contests with EPA Identification Tools. Metabolites. 10. PMID 32585902 DOI: 10.3390/Metabo10060260 |
0.417 |
|
| 2020 |
Sayre RR, Wambaugh JF, Grulke CM. Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals. Scientific Data. 7: 122. PMID 32313097 DOI: 10.1038/S41597-020-0455-1 |
0.424 |
|
| 2020 |
Mansouri K, Kleinstreuer N, Abdelaziz AM, Alberga D, Alves VM, Andersson PL, Andrade CH, Bai F, Balabin I, Ballabio D, Benfenati E, Bhhatarai B, Boyer S, Chen J, Consonni V, ... ... Grulke CM, et al. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity. Environmental Health Perspectives. 128: 27002. PMID 32074470 DOI: 10.1289/Ehp5580 |
0.572 |
|
| 2019 |
Mansouri K, Cariello NF, Korotcov A, Tkachenko V, Grulke CM, Sprankle CS, Allen D, Casey WM, Kleinstreuer NC, Williams AJ. Open-source QSAR models for pKa prediction using multiple machine learning approaches. Journal of Cheminformatics. 11: 60. PMID 33430972 DOI: 10.1186/S13321-019-0384-1 |
0.358 |
|
| 2019 |
McEachran AD, Balabin I, Cathey T, Transue TR, Al-Ghoul H, Grulke C, Sobus JR, Williams AJ. Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns. Scientific Data. 6: 141. PMID 31375670 DOI: 10.1038/S41597-019-0145-Z |
0.317 |
|
| 2019 |
Thomas RS, Bahadori T, Buckley TJ, Cowden J, Deisenroth C, Dionisio KL, Frithsen JB, Grulke CM, Gwinn MR, Harrill JA, Higuchi M, Houck KA, Hughes MF, Hunter ES, Isaacs KK, et al. The next generation blueprint of computational toxicology at the U.S. Environmental Protection Agency. Toxicological Sciences : An Official Journal of the Society of Toxicology. PMID 30835285 DOI: 10.1093/Toxsci/Kfz058 |
0.394 |
|
| 2019 |
Patlewicz G, Richard AM, Williams AJ, Grulke CM, Sams R, Lambert J, Noyes PD, DeVito MJ, Hines RN, Strynar M, Guiseppi-Elie A, Thomas RS. A Chemical Category-Based Prioritization Approach for Selecting 75 Per- and Polyfluoroalkyl Substances (PFAS) for Tiered Toxicity and Toxicokinetic Testing. Environmental Health Perspectives. 127: 14501. PMID 30632786 DOI: 10.1289/Ehp4555 |
0.432 |
|
| 2019 |
Sobus JR, Grossman JN, Chao A, Singh R, Williams AJ, Grulke CM, Richard AM, Newton SR, McEachran AD, Ulrich EM. Using prepared mixtures of ToxCast chemicals to evaluate non-targeted analysis (NTA) method performance. Analytical and Bioanalytical Chemistry. PMID 30612177 DOI: 10.1007/S00216-018-1526-4 |
0.331 |
|
| 2019 |
Grulke CM, Williams AJ, Thillanadarajah I, Richard AM. EPA’s DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research Computational Toxicology. 12: 100096. DOI: 10.1016/J.Comtox.2019.100096 |
0.402 |
|
| 2018 |
Ulrich EM, Sobus JR, Grulke CM, Richard AM, Newton SR, Strynar MJ, Mansouri K, Williams AJ. EPA's non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings. Analytical and Bioanalytical Chemistry. PMID 30519961 DOI: 10.1007/S00216-018-1435-6 |
0.383 |
|
| 2018 |
McEachran AD, Mansouri K, Grulke C, Schymanski EL, Ruttkies C, Williams AJ. "MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies. Journal of Cheminformatics. 10: 45. PMID 30167882 DOI: 10.1186/S13321-018-0299-2 |
0.311 |
|
| 2018 |
Dionisio KL, Phillips K, Price PS, Grulke CM, Williams A, Biryol D, Hong T, Isaacs KK. The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products. Scientific Data. 5: 180125. PMID 29989593 DOI: 10.1038/Sdata.2018.125 |
0.358 |
|
| 2018 |
Nicolas CI, Mansouri K, Phillips KA, Grulke CM, Richard AM, Williams AJ, Rabinowitz J, Isaacs KK, Yau A, Wambaugh JF. Rapid experimental measurements of physicochemical properties to inform models and testing. The Science of the Total Environment. 636: 901-909. PMID 29729507 DOI: 10.1016/J.Scitotenv.2018.04.266 |
0.416 |
|
| 2018 |
Mansouri K, Grulke CM, Judson RS, Williams AJ. OPERA models for predicting physicochemical properties and environmental fate endpoints. Journal of Cheminformatics. 10: 10. PMID 29520515 DOI: 10.1186/S13321-018-0263-1 |
0.446 |
|
| 2018 |
Phillips K, Yau AY, Favela KA, Isaacs KK, McEachran A, Grulke CM, Richard AM, Williams A, Sobus JR, Thomas RS, Wambaugh JF. Suspect Screening Analysis of Chemicals in Consumer Products. Environmental Science & Technology. PMID 29405058 DOI: 10.1021/Acs.Est.7B04781 |
0.418 |
|
| 2018 |
Tan C, Leonard J, Wambaugh J, Isaacs K, Villeneuve D, LaLone C, Edwards S, Williams A, Grulke C. Free access platforms for integrating environmental chemical exposure and hazard information Toxicology Letters. 295: S29. DOI: 10.1016/J.Toxlet.2018.06.1129 |
0.328 |
|
| 2018 |
Fourches D, Williams AJ, Patlewicz G, Shah I, Grulke C, Wambaugh J, Richard A, Tropsha A. Computational Tools for ADMET Profiling Computational Toxicology. 211-244. DOI: 10.1002/9781119282594.Ch8 |
0.468 |
|
| 2017 |
Phillips KA, Wambaugh JF, Grulke CM, Dionisio KL, Isaacs KK. High-throughput screening of chemicals as functional substitutes using structure-based classification models. Green Chemistry : An International Journal and Green Chemistry Resource : Gc. 19: 1063-1074. PMID 30505234 DOI: 10.1039/C6Gc02744J |
0.446 |
|
| 2017 |
Sobus JR, Wambaugh JF, Isaacs KK, Williams AJ, McEachran AD, Richard AM, Grulke CM, Ulrich EM, Rager JE, Strynar MJ, Newton SR. Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA. Journal of Exposure Science & Environmental Epidemiology. PMID 29288256 DOI: 10.1038/S41370-017-0012-Y |
0.439 |
|
| 2017 |
Williams AJ, Grulke CM, Edwards J, McEachran AD, Mansouri K, Baker NC, Patlewicz G, Shah I, Wambaugh JF, Judson RS, Richard AM. The CompTox Chemistry Dashboard: a community data resource for environmental chemistry. Journal of Cheminformatics. 9: 61. PMID 29185060 DOI: 10.1186/S13321-017-0247-6 |
0.391 |
|
| 2017 |
Truong L, Ouedraogo G, Pham L, Clouzeau J, Loisel-Joubert S, Blanchet D, Noçairi H, Setzer W, Judson R, Grulke C, Mansouri K, Martin M. Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariates. Archives of Toxicology. PMID 29075892 DOI: 10.1007/S00204-017-2067-X |
0.378 |
|
| 2016 |
Mansouri K, Grulke CM, Richard AM, Judson RS, Williams AJ. An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling. Sar and Qsar in Environmental Research. 27: 939-965. PMID 27885862 DOI: 10.1080/1062936X.2016.1253611 |
0.401 |
|
| 2016 |
Richard AM, Judson RS, Houck KA, Grulke CM, Volarath P, Thillainadarajah I, Yang C, Rathman JF, Martin MT, Wambaugh JF, Knudsen TB, Kancherla J, Mansouri K, Patlewicz GY, Williams AJ, et al. The ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology. Chemical Research in Toxicology. PMID 27367298 DOI: 10.1021/Acs.Chemrestox.6B00135 |
0.467 |
|
| 2016 |
Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, Zakharov A, Worth A, Richard AM, Grulke CM, Trisciuzzi D, Fourches D, Horvath D, Benfenati E, Muratov E, et al. CERAPP: Collaborative Estrogen Receptor Activity Prediction Project. Environmental Health Perspectives. PMID 26908244 DOI: 10.1289/Ehp.1510267 |
0.555 |
|
| 2016 |
Lu J, Goldsmith MR, Grulke CM, Chang DT, Brooks RD, Leonard JA, Phillips MB, Hypes ED, Fair MJ, Tornero-Velez R, Johnson J, Dary CC, Tan YM. Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction. Plos Computational Biology. 12: e1004495. PMID 26871706 DOI: 10.1371/Journal.Pcbi.1004495 |
0.445 |
|
| 2016 |
Rager JE, Strynar MJ, Liang S, McMahen RL, Richard AM, Grulke CM, Wambaugh JF, Isaacs KK, Judson R, Williams AJ, Sobus JR. Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring. Environment International. 88: 269-280. PMID 26812473 DOI: 10.1016/J.Envint.2015.12.008 |
0.392 |
|
| 2015 |
Brown K, Phillips M, Grulke C, Yoon M, Young B, McDougall R, Leonard J, Lu J, Lefew W, Tan YM. Reconstructing exposures from biomarkers using exposure-pharmacokinetic modeling - A case study with carbaryl. Regulatory Toxicology and Pharmacology : Rtp. PMID 26545325 DOI: 10.1016/J.Yrtph.2015.10.031 |
0.376 |
|
| 2015 |
Phillips MB, Leonard JA, Grulke CM, Chang DT, Edwards SW, Brooks R, Goldsmith MR, El-Masri H, Tan YM. A Workflow to Investigate Exposure and Pharmacokinetic Influences on High-Throughput in Vitro Chemical Screening Based on Adverse Outcome Pathways. Environmental Health Perspectives. PMID 25978103 DOI: 10.1289/Ehp.1409450 |
0.361 |
|
| 2014 |
Isaacs KK, Glen WG, Egeghy P, Goldsmith MR, Smith L, Vallero D, Brooks R, Grulke CM, Özkaynak H. SHEDS-HT: an integrated probabilistic exposure model for prioritizing exposures to chemicals with near-field and dietary sources. Environmental Science & Technology. 48: 12750-9. PMID 25222184 DOI: 10.1021/Es502513W |
0.43 |
|
| 2014 |
Goldsmith MR, Grulke CM, Brooks RD, Transue TR, Tan YM, Frame A, Egeghy PP, Edwards R, Chang DT, Tornero-Velez R, Isaacs K, Wang A, Johnson J, Holm K, Reich M, et al. Development of a consumer product ingredient database for chemical exposure screening and prioritization. Food and Chemical Toxicology : An International Journal Published For the British Industrial Biological Research Association. 65: 269-79. PMID 24374094 DOI: 10.1016/J.Fct.2013.12.029 |
0.392 |
|
| 2014 |
Chang DT, Goldsmith M, Rodriguez AF, Grulke CM, Egeghy PP, Mitchell-Blackwood J. Data-mining and informatics approaches for environmental contaminants Access Science. DOI: 10.1036/1097-8542.Yb140413 |
0.347 |
|
| 2014 |
Goldsmith M, Grulke CM, Chang DT, Rodriguez AF, Brooks RD, Dary CC, Vallero DA. Personal chemical exposure informatics Access Science. DOI: 10.1036/1097-8542.Yb140409 |
0.348 |
|
| 2014 |
Grulke CM, Clark AM, Williams AJ, Ekins S, Morris C, Goldsmith M. Mobile modeling in the molecular sciences Access Science. DOI: 10.1036/1097-8542.Yb140402 |
0.315 |
|
| 2013 |
Martin TM, Grulke CM, Young DM, Russom CL, Wang NY, Jackson CR, Barron MG. Prediction of aquatic toxicity mode of action using linear discriminant and random forest models. Journal of Chemical Information and Modeling. 53: 2229-39. PMID 23962299 DOI: 10.1021/Ci400267H |
0.414 |
|
| 2013 |
Grulke CM, Holm K, Goldsmith MR, Tan YM. PROcEED: Probabilistic reverse dosimetry approaches for estimating exposure distributions. Bioinformation. 9: 707-9. PMID 23930024 DOI: 10.6026/97320630009707 |
0.349 |
|
| 2011 |
Samarov D, Marron JS, Liu Y, Grulke C, Tropsha A. LOCAL KERNEL CANONICAL CORRELATION ANALYSIS WITH APPLICATION TO VIRTUAL DRUG SCREENING. The Annals of Applied Statistics. 5: 2169-2196. PMID 22121408 DOI: 10.1214/11-Aoas472 |
0.549 |
|
| 2010 |
Hajjo R, Grulke CM, Golbraikh A, Setola V, Huang XP, Roth BL, Tropsha A. Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs. Journal of Medicinal Chemistry. 53: 7573-86. PMID 20958049 DOI: 10.1021/Jm100600Y |
0.655 |
|
| 2010 |
Walker T, Grulke CM, Pozefsky D, Tropsha A. Chembench: a cheminformatics workbench. Bioinformatics (Oxford, England). 26: 3000-1. PMID 20889496 DOI: 10.1093/Bioinformatics/Btq556 |
0.603 |
|
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