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Results: 1 to 20 of 103

Similar articles for PubMed (Select 18771257)

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.

3.

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
4.

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.

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
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.
11.

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
12.
13.

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
14.
15.

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
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.

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
18.

[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
19.

Identification of the structural requirements for mutagencitiy, by incorporating molecular flexibility and metabolic activation of chemicals. II. General Ames mutagenicity model.

Serafimova R, Todorov M, Pavlov T, Kotov S, Jacob E, Aptula A, Mekenyan O.

Chem Res Toxicol. 2007 Apr;20(4):662-76. Epub 2007 Mar 24. Erratum in: Chem Res Toxicol. 2007 Aug;20(8):1225.

PMID:
17381132
20.

Predicting the genotoxicity of secondary and aromatic amines using data subsetting to generate a model ensemble.

Mattioni BE, Kauffman GW, Jurs PC, Custer LL, Durham SK, Pearl GM.

J Chem Inf Comput Sci. 2003 May-Jun;43(3):949-63.

PMID:
12767154
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