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Items: 1 to 20 of 104

1.

Accurate and interpretable computational modeling of chemical mutagenicity.

Langham JJ, Jain AN.

J Chem Inf Model. 2008 Sep;48(9):1833-9. doi: 10.1021/ci800094a. Epub 2008 Sep 5.

4.

Derivation and validation of toxicophores for mutagenicity prediction.

Kazius J, McGuire R, Bursi R.

J Med Chem. 2005 Jan 13;48(1):312-20.

PMID:
15634026
5.

The expert system for toxicity prediction of chemicals based on structure-activity relationship.

Nakadate M, Hayashi M, Sofuni T, Kamata E, Aida Y, Osada T, Ishibe T, Sakamura Y, Ishidate M Jr.

Environ Health Perspect. 1991 Dec;96:77-9.

6.

Extending (Q)SARs to incorporate proprietary knowledge for regulatory purposes: A case study using aromatic amine mutagenicity.

Ahlberg E, Amberg A, Beilke LD, Bower D, Cross KP, Custer L, Ford KA, Van Gompel J, Harvey J, Honma M, Jolly R, Joossens E, Kemper RA, Kenyon M, Kruhlak N, Kuhnke L, Leavitt P, Naven R, Neilan C, Quigley DP, Shuey D, Spirkl HP, Stavitskaya L, Teasdale A, White A, Wichard J, Zwickl C, Myatt GJ.

Regul Toxicol Pharmacol. 2016 Jun;77:1-12. doi: 10.1016/j.yrtph.2016.02.003. Epub 2016 Feb 13.

PMID:
26879463
7.

In silico prediction of chemical Ames mutagenicity.

Xu C, Cheng F, Chen L, Du Z, Li W, Liu G, Lee PW, Tang Y.

J Chem Inf Model. 2012 Nov 26;52(11):2840-7. doi: 10.1021/ci300400a. Epub 2012 Oct 17.

PMID:
23030379
8.

Computational derivation of structural alerts from large toxicology data sets.

Ahlberg E, Carlsson L, Boyer S.

J Chem Inf Model. 2014 Oct 27;54(10):2945-52. doi: 10.1021/ci500314a. Epub 2014 Oct 13.

PMID:
25275755
9.

Rule extraction from a mutagenicity data set using adaptively grown phylogenetic-like trees.

Bacha PA, Gruver HS, Den Hartog BK, Tamura SY, Nutt RF.

J Chem Inf Comput Sci. 2002 Sep-Oct;42(5):1104-11.

PMID:
12376997
10.

A novel QSAR model of Salmonella mutagenicity and its application in the safety assessment of drug impurities.

Valencia A, Prous J, Mora O, Sadrieh N, Valerio LG Jr.

Toxicol Appl Pharmacol. 2013 Dec 15;273(3):427-34. doi: 10.1016/j.taap.2013.09.015. Epub 2013 Sep 30.

PMID:
24090816
11.
12.

Benchmark data set for in silico prediction of Ames mutagenicity.

Hansen K, Mika S, Schroeter T, Sutter A, ter Laak A, Steger-Hartmann T, Heinrich N, Müller KR.

J Chem Inf Model. 2009 Sep;49(9):2077-81. doi: 10.1021/ci900161g.

PMID:
19702240
13.
14.

Integrated decision support for assessing chemical liabilities.

Spjuth O, Eklund M, Ahlberg Helgee E, Boyer S, Carlsson L.

J Chem Inf Model. 2011 Aug 22;51(8):1840-7. doi: 10.1021/ci200242c. Epub 2011 Aug 5.

PMID:
21774475
15.
16.

Ring systems in mutagenicity databases.

Kho R, Hodges JA, Hansen MR, Villar HO.

J Med Chem. 2005 Oct 20;48(21):6671-8.

PMID:
16220983
17.

Merging applicability domains for in silico assessment of chemical mutagenicity.

Liu R, Wallqvist A.

J Chem Inf Model. 2014 Mar 24;54(3):793-800. doi: 10.1021/ci500016v. Epub 2014 Feb 14.

PMID:
24494696
19.

Comparison of in silico models for prediction of mutagenicity.

Bakhtyari NG, Raitano G, Benfenati E, Martin T, Young D.

J Environ Sci Health C Environ Carcinog Ecotoxicol Rev. 2013;31(1):45-66. doi: 10.1080/10590501.2013.763576. Review.

PMID:
23534394
20.

[A computer system of automated evaluation of structure-activity relationship of chemical mutagens].

Fu ZD, Gu LJ, Chen WR.

Zhonghua Yu Fang Yi Xue Za Zhi. 1993 Jan;27(1):16-8. Chinese.

PMID:
8325171

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