Evaluation of Existing QSAR Models and Structural Alerts and Development of New Ensemble Models for Genotoxicity Using a Newly Compiled Experimental Dataset.
Ames
QSAR
TSCA
clastogenicity
genotoxicity
risk-based prioritization
structural alert
Journal
Computational toxicology (Amsterdam, Netherlands)
ISSN: 2468-1113
Titre abrégé: Comput Toxicol
Pays: Netherlands
ID NLM: 101708081
Informations de publication
Date de publication:
01 May 2021
01 May 2021
Historique:
entrez:
10
9
2021
pubmed:
11
9
2021
medline:
11
9
2021
Statut:
ppublish
Résumé
Regulatory agencies world-wide face the challenge of performing risk-based prioritization of thousands of substances in commerce. In this study, a major effort was undertaken to compile a large genotoxicity dataset (54,805 records for 9299 substances) from several public sources (e.g., TOXNET, COSMOS, eChemPortal). The names and outcomes of the different assays were harmonized, and assays were annotated by type: gene mutation in
Identifiants
pubmed: 34504984
doi: 10.1016/j.comtox.2021.100167
pmc: PMC8422876
mid: NIHMS1719707
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : Intramural EPA
ID : EPA999999
Pays : United States
Références
Mutat Res. 1994 Jun;312(3):241-61
pubmed: 7514738
Ann Ist Super Sanita. 2008;44(1):48-56
pubmed: 18469376
Comput Toxicol. 2018;7:58-67
pubmed: 31338483
Comput Toxicol. 2019 Nov 1;12:
pubmed: 33426407
Regul Toxicol Pharmacol. 2016 Jun;77:13-24
pubmed: 26877192
J Cheminform. 2016 Sep 22;8:48
pubmed: 28316646
J Cheminform. 2017 Nov 28;9(1):61
pubmed: 29185060
Genes Environ. 2016 Oct 1;38:18
pubmed: 27733885
Mutat Res. 2002 Jan 29;499(1):27-52
pubmed: 11804603
J Environ Sci Health C Environ Carcinog Ecotoxicol Rev. 2013;31(1):45-66
pubmed: 23534394
Environ Int. 2019 Oct;131:105060
pubmed: 31377600
Methods Mol Biol. 2018;1800:55-77
pubmed: 29934887
Mutagenesis. 2019 Mar 6;34(1):17-23
pubmed: 30260416
Mutat Res. 2019 Dec;848:503081
pubmed: 31708075
Mutagenesis. 1986 Jan;1(1):3-16
pubmed: 3325732
Mutat Res. 2000 Nov 20;455(1-2):29-60
pubmed: 11113466
Basic Clin Pharmacol Toxicol. 2018 Sep;123 Suppl 5:20-28
pubmed: 29316278
Genes Environ. 2020 Jul 2;42:23
pubmed: 32626544
Chem Res Toxicol. 2007 Apr;20(4):662-76
pubmed: 17381132
J Environ Sci Health C Environ Carcinog Ecotoxicol Rev. 2014;32(3):273-98
pubmed: 25226221
EFSA J. 2017 Aug 03;15(8):e04971
pubmed: 32625632
Methods Mol Biol. 2012;817:35-54
pubmed: 22147567
Mutagenesis. 2009 Jul;24(4):341-9
pubmed: 19535363
J Chem Inf Model. 2009 Sep;49(9):2077-81
pubmed: 19702240
Fed Regist. 2012 Jun 7;77(110):33748-9
pubmed: 22675782
Mutat Res. 1991 Nov;258(3):259-83
pubmed: 1719404
Curr Pharm Des. 2004;10(11):1273-93
pubmed: 15078141