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Items: 7

1.

A k-nearest neighbor classification of hERG K(+) channel blockers.

Chavan S, Abdelaziz A, Wiklander JG, Nicholls IA.

J Comput Aided Mol Des. 2016 Mar;30(3):229-36. doi: 10.1007/s10822-016-9898-z. Epub 2016 Feb 10.

2.

Acute Toxicity-Supported Chronic Toxicity Prediction: A k-Nearest Neighbor Coupled Read-Across Strategy.

Chavan S, Friedman R, Nicholls IA.

Int J Mol Sci. 2015 May 21;16(5):11659-77. doi: 10.3390/ijms160511659.

3.

Theoretical and Computational Strategies for the Study of the Molecular Imprinting Process and Polymer Performance.

Nicholls IA, Chavan S, Golker K, Karlsson BC, Olsson GD, Rosengren AM, Suriyanarayanan S, Wiklander JG.

Adv Biochem Eng Biotechnol. 2015;150:25-50. doi: 10.1007/10_2015_318. Review.

PMID:
25786710
4.

Towards global QSAR model building for acute toxicity: Munro database case study.

Chavan S, Nicholls IA, Karlsson BC, Rosengren AM, Ballabio D, Consonni V, Todeschini R.

Int J Mol Sci. 2014 Oct 9;15(10):18162-74. doi: 10.3390/ijms151018162.

5.
6.

Molecular dynamics directed CoMFA studies on carbocyclic neuraminidase inhibitors.

Chavan S, Bhayye S, Sobhia ME.

Mol Divers. 2011 Nov;15(4):979-87. doi: 10.1007/s11030-011-9332-3. Epub 2011 Sep 16.

PMID:
21922291
7.

Rational design of CCR2 antagonists: a survey of computational studies.

Sobhia ME, Singh R, Kare P, Chavan S.

Expert Opin Drug Discov. 2010 Jun;5(6):543-57. doi: 10.1517/17460441.2010.482559. Epub 2010 May 14.

PMID:
22823166

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