Conditional Toxicity Value (CTV) Predictor: An In Silico Approach for Generating Quantitative Risk Estimates for Chemicals

Author:

Wignall Jessica A.1,Muratov Eugene2,Sedykh Alexander23,Guyton Kathryn Z.4,Tropsha Alexander2,Rusyn Ivan5,Chiu Weihsueh A.5

Affiliation:

1. ICF, Fairfax, Virginia, USA

2. Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA

3. Present affiliation: SciOme LLC, Research Triangle Park, North Carolina, USA

4. Monographs Section, International Agency for Research on Cancer, World Health Organization, Lyon, France

5. Department of Veterinary Integrative Biosciences, College of Veterinary Medicine and Biomedical Sciences, Texas A&M University, College Station, Texas, USA

Publisher

Environmental Health Perspectives

Subject

Health, Toxicology and Mutagenesis,Public Health, Environmental and Occupational Health

Reference48 articles.

1. Anderson E Veith G Weininger D. 1987. SMILES: A Line Notation and Computerized Interpreter for Chemical Structures.” EPA/600/M-87/021 (NTIS PB88130034). Washington DC:U.S. Environmental Protection Agency. https://cfpub.epa.gov/si/si_public_record_report.cfm?dirEntryId=33186&keyword=syntax&actType=&TIMSType=+&TIMSSubTypeID=&DEID=&epaNumber=&ntisID=&archiveStatus=Both&ombCat=Any&dateBeginCreated=&dateEndCreated=&dateBeginPublishedPresented=&dateEndPublishedPresented=&dateBeginUpdated=&dateEndUpdated=&dateBeginCompleted=&dateEndCompleted=&personID=&role=Any&journalID=&publisherID=&sortBy=revisionDate&count=50&CFID=61591074&CFTOKEN=96057771 [accessed 8 May 2018].

2. Comparison of Cramer classification between Toxtree, the OECD QSAR Toolbox and expert judgment

3. Evaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation

4. Beyond the RfD: Broad Application of a Probabilistic Approach to Improve Chemical Dose–Response Assessments for Noncancer Effects

5. A Unified Probabilistic Framework for Dose–Response Assessment of Human Health Effects

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