Huang Q - Search Results

1

An integrated scheme for feature selection and parameter setting in the support vector machine modeling and its application to the prediction of pharmacokinetic properties of drugs.

Yang SY, Huang Q, Li LL, Ma CY, Zhang H, Bai R, Teng QZ, Xiang ML, Wei YQ. Yang SY, et al. Among authors: huang q. Artif Intell Med. 2009 Jun;46(2):155-63. doi: 10.1016/j.artmed.2008.07.001. Epub 2008 Aug 12. Artif Intell Med. 2009. PMID: 18701266

2

Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA-CG-SVM method.

Ma CY, Yang SY, Zhang H, Xiang ML, Huang Q, Wei YQ. Ma CY, et al. Among authors: huang q. J Pharm Biomed Anal. 2008 Aug 5;47(4-5):677-82. doi: 10.1016/j.jpba.2008.03.023. Epub 2008 Mar 28. J Pharm Biomed Anal. 2008. PMID: 18455346

3

In silico prediction of mitochondrial toxicity by using GA-CG-SVM approach.

Zhang H, Chen QY, Xiang ML, Ma CY, Huang Q, Yang SY. Zhang H, et al. Among authors: huang q. Toxicol In Vitro. 2009 Feb;23(1):134-40. doi: 10.1016/j.tiv.2008.09.017. Epub 2008 Oct 2. Toxicol In Vitro. 2009. PMID: 18940245

4

Three-class classification models of logS and logP derived by using GA-CG-SVM approach.

Zhang H, Xiang ML, Ma CY, Huang Q, Li W, Xie Y, Wei YQ, Yang SY. Zhang H, et al. Among authors: huang q. Mol Divers. 2009 May;13(2):261-8. doi: 10.1007/s11030-009-9108-1. Epub 2009 Jan 31. Mol Divers. 2009. PMID: 19184630

5

PhDD: a new pharmacophore-based de novo design method of drug-like molecules combined with assessment of synthetic accessibility.

Huang Q, Li LL, Yang SY. Huang Q, et al. J Mol Graph Model. 2010 Jun;28(8):775-87. doi: 10.1016/j.jmgm.2010.02.002. Epub 2010 Feb 11. J Mol Graph Model. 2010. PMID: 20206562

6

Discovery of novel mGluR1 antagonists: a multistep virtual screening approach based on an SVM model and a pharmacophore hypothesis significantly increases the hit rate and enrichment factor.

Li GB, Yang LL, Feng S, Zhou JP, Huang Q, Xie HZ, Li LL, Yang SY. Li GB, et al. Among authors: huang q. Bioorg Med Chem Lett. 2011 Mar 15;21(6):1736-40. doi: 10.1016/j.bmcl.2011.01.087. Epub 2011 Jan 25. Bioorg Med Chem Lett. 2011. PMID: 21316965

7

Combined SVM-based and docking-based virtual screening for retrieving novel inhibitors of c-Met.

Xie QQ, Zhong L, Pan YL, Wang XY, Zhou JP, Di-Wu L, Huang Q, Wang YL, Yang LL, Xie HZ, Yang SY. Xie QQ, et al. Among authors: huang q. Eur J Med Chem. 2011 Sep;46(9):3675-80. doi: 10.1016/j.ejmech.2011.05.031. Epub 2011 May 25. Eur J Med Chem. 2011. PMID: 21641696

8

RASA: a rapid retrosynthesis-based scoring method for the assessment of synthetic accessibility of drug-like molecules.

Huang Q, Li LL, Yang SY. Huang Q, et al. J Chem Inf Model. 2011 Oct 24;51(10):2768-77. doi: 10.1021/ci100216g. Epub 2011 Sep 21. J Chem Inf Model. 2011. PMID: 21932860

9

Identification of CK2 inhibitors with new scaffolds by a hybrid virtual screening approach based on Bayesian model; pharmacophore hypothesis and molecular docking.

Di-wu L, Li LL, Wang WJ, Xie HZ, Yang J, Zhang CH, Huang Q, Zhong L, Feng S, Yang SY. Di-wu L, et al. Among authors: huang q. J Mol Graph Model. 2012 Jun;36:42-7. doi: 10.1016/j.jmgm.2012.03.004. Epub 2012 Mar 26. J Mol Graph Model. 2012. PMID: 22516037

10

Identification of novel anaplastic lymphoma kinase (ALK) inhibitors using a common feature pharmacophore model derived from known ligands crystallized with ALK.

Xie HZ, Lan H, Pan YL, Zou J, Wang ZR, Li LL, Huang Q, Zhang H, Yang SY. Xie HZ, et al. Among authors: huang q. Chem Biol Drug Des. 2013 Feb;81(2):175-84. doi: 10.1111/cbdd.12084. Epub 2012 Nov 27. Chem Biol Drug Des. 2013. PMID: 23107363

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