Aixia Yan - researchr alias

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Viewing Publication 1 - 16 from 16

2022

2021

A comprehensive comparative assessment of 3D molecular similarity tools in ligand-based virtual screeningZhenla Jiang, Jianrong Xu, Aixia Yan, Ling Wang 0008. bib, 22(6), 2021. [doi]

SAR study on inhibitors of Hsp90α using machine learning methodsZhongyuan Zhang, Yujia Tian, Aixia Yan. ccfthpc, 3(4):353-364, 2021. [doi]

2019

Classification of Cyclooxygenase-2 Inhibitors Using Support Vector Machine and Random Forest MethodsZijian Qin, Yao Xi, Shengde Zhang, Guiping Tu, Aixia Yan. jcisd, 59(5):1988-2008, 2019. [doi]

2018

Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual ScreeningYue Kong, Andreas Bender, Aixia Yan. jcisd, 58(1):36-47, 2018. [doi]

2012

Prediction of Activity Cliffs Using Support Vector MachinesKathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath. jcisd, 52(9):2354-2365, 2012. [doi]

Human Oral Bioavailability Prediction of Four Kinds of DrugsAixia Yan, Zhi Wang, Jiaxuan Li, Meng Meng. ijcmam, 3(4):29-42, 2012. [doi]

2011

P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data setZhi Wang, Yuanying Chen, Hu Liang, Andreas Bender, Robert C. Glen, Aixia Yan. jcisd, 51(6):1447-1456, 2011. [doi]

2010

Similarity Perception of Reactions Catalyzed by Oxidoreductases and Hydrolases Using Different Classification MethodsXiaoying Hu, Aixia Yan, Tianwei Tan, Oliver Sacher, Johann Gasteiger. jcisd, 50(6):1089-1100, 2010. [doi]

2006

Modeling of Gibbs Energy of Formation of Organic Compounds by Linear and Nonlinear MethodsAixia Yan. jcisd, 46(6):2299-2304, 2006. [doi]

2004

Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methodsAixia Yan, Johann Gasteiger, Michael Krug, Soheila Anzali. jcamd, 18(2):75-87, 2004.

2003

Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure RepresentationAixia Yan, Johann Gasteiger. jcisd, 43(2):429-434, 2003. [doi]

2001

Research and Prediction of Coordination Reactions Between CPA-mA and Some Metal Ions using Artificial Neural NetworksLijun Dong, Aixia Yan, Xingguo Chen, Hongping Xu, Zhide Hu. CANDC, 25(6):551-558, 2001. [doi]

2000

Use of Artificial Neural Networks to Predict the Gas Chromatographic Retention Index Data of Alkylbenzenes on Carbowax-20MAixia Yan, Guimei Jiao, Zhide Hu, Bo Tao Fan. CANDC, 24(2):171-179, 2000. [doi]

1998

Large Artificial Neural Networks Applied to the Prediction of Retention Indices of Acyclic and Cyclic Alkanes, Alkenes, Alcohols, Esters, Ketones and EthersAixia Yan, Ruisheng Zhang, Mancang Liu, Zhide Hu, Martin A. Hooper, Zhengfeng Zhao. CANDC, 22(5):405-412, 1998. [doi]

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