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Items: 1 to 20 of 97

1.

Weighted feature significance: a simple, interpretable model of compound toxicity based on the statistical enrichment of structural features.

Huang R, Southall N, Xia M, Cho MH, Jadhav A, Nguyen DT, Inglese J, Tice RR, Austin CP.

Toxicol Sci. 2009 Dec;112(2):385-93. doi: 10.1093/toxsci/kfp231. Epub 2009 Oct 4.

2.

Toxicity-indicating structural patterns.

von Korff M, Sander T.

J Chem Inf Model. 2006 Mar-Apr;46(2):536-44.

PMID:
16562981
4.

A multiple in silico program approach for the prediction of mutagenicity from chemical structure.

White AC, Mueller RA, Gallavan RH, Aaron S, Wilson AG.

Mutat Res. 2003 Aug 5;539(1-2):77-89.

PMID:
12948816
5.

Characterization and validation of an in silico toxicology model to predict the mutagenic potential of drug impurities.

Valerio LG Jr, Cross KP.

Toxicol Appl Pharmacol. 2012 May 1;260(3):209-21. doi: 10.1016/j.taap.2012.03.001. Epub 2012 Mar 9.

PMID:
22426359
6.
7.

Modelling the Tox21 10 K chemical profiles for in vivo toxicity prediction and mechanism characterization.

Huang R, Xia M, Sakamuru S, Zhao J, Shahane SA, Attene-Ramos M, Zhao T, Austin CP, Simeonov A.

Nat Commun. 2016 Jan 26;7:10425. doi: 10.1038/ncomms10425.

PMID:
26811972
8.

Predicting hepatotoxicity using ToxCast in vitro bioactivity and chemical structure.

Liu J, Mansouri K, Judson RS, Martin MT, Hong H, Chen M, Xu X, Thomas RS, Shah I.

Chem Res Toxicol. 2015 Apr 20;28(4):738-51. doi: 10.1021/tx500501h. Epub 2015 Mar 9.

PMID:
25697799
11.

Binary classification of a large collection of environmental chemicals from estrogen receptor assays by quantitative structure-activity relationship and machine learning methods.

Zang Q, Rotroff DM, Judson RS.

J Chem Inf Model. 2013 Dec 23;53(12):3244-61. doi: 10.1021/ci400527b. Epub 2013 Dec 11.

PMID:
24279462
12.

Computer analysis of toxicological data bases: mutagenicity of aromatic amines in Salmonella tester strains.

Klopman G, Frierson MR, Rosenkranz HS.

Environ Mutagen. 1985;7(5):625-44.

PMID:
3899629
13.

Computational toxicology as implemented by the U.S. EPA: providing high throughput decision support tools for screening and assessing chemical exposure, hazard and risk.

Kavlock R, Dix D.

J Toxicol Environ Health B Crit Rev. 2010 Feb;13(2-4):197-217. doi: 10.1080/10937404.2010.483935.

PMID:
20574897
14.

The ToxCast program for prioritizing toxicity testing of environmental chemicals.

Dix DJ, Houck KA, Martin MT, Richard AM, Setzer RW, Kavlock RJ.

Toxicol Sci. 2007 Jan;95(1):5-12. Epub 2006 Sep 8.

PMID:
16963515
15.

Support vector machine: classifying and predicting mutagenicity of complex mixtures based on pollution profiles.

Zheng W, Tian D, Wang X, Tian W, Zhang H, Jiang S, He G, Zheng Y, Qu W.

Toxicology. 2013 Nov 16;313(2-3):151-9. doi: 10.1016/j.tox.2013.01.016. Epub 2013 Feb 8.

PMID:
23395826
16.

The future of toxicity testing: a focus on in vitro methods using a quantitative high-throughput screening platform.

Shukla SJ, Huang R, Austin CP, Xia M.

Drug Discov Today. 2010 Dec;15(23-24):997-1007. doi: 10.1016/j.drudis.2010.07.007. Epub 2010 Aug 11. Review.

17.

Changes in toxicity and genotoxicity of industrial sewage sludge samples containing nitro- and amino-aromatic compounds following treatment in bioreactors with different oxygen regimes.

Klee N, Gustavsson L, Kosmehl T, Engwall M, Erdinger L, Braunbeck T, Hollert H.

Environ Sci Pollut Res Int. 2004;11(5):313-20.

PMID:
15506634
18.

Systematic study of mitochondrial toxicity of environmental chemicals using quantitative high throughput screening.

Attene-Ramos MS, Huang R, Sakamuru S, Witt KL, Beeson GC, Shou L, Schnellmann RG, Beeson CC, Tice RR, Austin CP, Xia M.

Chem Res Toxicol. 2013 Sep 16;26(9):1323-32. doi: 10.1021/tx4001754. Epub 2013 Aug 15.

19.

Structural determinants of developmental toxicity in hamsters.

Gómez J, Macina OT, Mattison DR, Zhang YP, Klopman G, Rosenkranz HS.

Teratology. 1999 Oct;60(4):190-205.

PMID:
10508972
20.

The proportions of mutagens among chemicals in commerce.

Zeiger E, Margolin BH.

Regul Toxicol Pharmacol. 2000 Oct;32(2):219-25.

PMID:
11067778

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