Yan A - Search Results

1

Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods.

Yan A, Gasteiger J, Krug M, Anzali S. Yan A, et al. J Comput Aided Mol Des. 2004 Feb;18(2):75-87. doi: 10.1023/b:jcam.0000030031.81235.05. J Comput Aided Mol Des. 2004. PMID: 15287695

2

Prediction of aqueous solubility of organic compounds based on a 3D structure representation.

Yan A, Gasteiger J. Yan A, et al. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):429-34. doi: 10.1021/ci025590u. J Chem Inf Comput Sci. 2003. PMID: 12653505

3

Classification of Mixtures of Chinese Herbal Medicines Based on a Self-organizing Map (SOM).

Wang M, Li L, Yu C, Yan A, Zhao Z, Zhang G, Jiang M, Lu A, Gasteiger J. Wang M, et al. Among authors: yan a. Mol Inform. 2016 Apr;35(3-4):109-15. doi: 10.1002/minf.201500115. Epub 2016 Jan 6. Mol Inform. 2016. PMID: 27491920

4

Explorations into modeling human oral bioavailability.

Wang Z, Yan A, Yuan Q, Gasteiger J. Wang Z, et al. Among authors: yan a. Eur J Med Chem. 2008 Nov;43(11):2442-52. doi: 10.1016/j.ejmech.2008.05.017. Epub 2008 May 28. Eur J Med Chem. 2008. PMID: 18603330

5

Hu X, Yan A, Tan T, Sacher O, Gasteiger J. Hu X, et al. Among authors: yan a. J Chem Inf Model. 2010 Jun 28;50(6):1089-100. doi: 10.1021/ci9004833. J Chem Inf Model. 2010. PMID: 20515020

6

Modeling of Gibbs energy of formation of organic compounds by linear and nonlinear methods.

Yan A. Yan A. J Chem Inf Model. 2006 Nov-Dec;46(6):2299-304. doi: 10.1021/ci0600105. J Chem Inf Model. 2006. PMID: 17125172

7

Quantitative Structure-Activity Relationship Study for HIV-1 LEDGF/p75 Inhibitors.

Li Y, Tian Y, Xi Y, Qin Z, Yan A. Li Y, et al. Among authors: yan a. Curr Comput Aided Drug Des. 2020;16(5):654-666. doi: 10.2174/1573409915666190919153959. Curr Comput Aided Drug Des. 2020. PMID: 31538902

8

Carcinogenicity prediction of noncongeneric chemicals by a support vector machine.

Zhong M, Nie X, Yan A, Yuan Q. Zhong M, et al. Among authors: yan a. Chem Res Toxicol. 2013 May 20;26(5):741-9. doi: 10.1021/tx4000182. Epub 2013 Apr 11. Chem Res Toxicol. 2013. PMID: 23577695

9

Prediction of activity cliffs using support vector machines.

Heikamp K, Hu X, Yan A, Bajorath J. Heikamp K, et al. Among authors: yan a. J Chem Inf Model. 2012 Sep 24;52(9):2354-65. doi: 10.1021/ci300306a. Epub 2012 Aug 23. J Chem Inf Model. 2012. PMID: 22894655

10

Computer modeling in predicting the bioactivity of human 5-lipoxygenase inhibitors.

Zhang M, Xia Z, Yan A. Zhang M, et al. Among authors: yan a. Mol Divers. 2017 Feb;21(1):235-246. doi: 10.1007/s11030-016-9709-4. Epub 2016 Nov 30. Mol Divers. 2017. PMID: 27904990

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