Aixia Yan

16 papers Journal 16
YearRankTypeTitle / Venue / Authors
2022 J jnl
Discovery of Novel Epidermal Growth Factor Receptor (EGFR) Inhibitors Using Computational Approaches.
J. Chem. Inf. Model.
Donghui Huo, Shiyu Wang, Yue Kong, Zijian Qin, Aixia Yan
2022 J jnl
Integrating concept of pharmacophore with graph neural networks for chemical property prediction and interpretation.
J. Cheminformatics
Yue Kong, Xiaoman Zhao, Ruizi Liu, Zhenwu Yang, Hongyan Yin, Bowen Zhao, Jinling Wang, Bingjie Qin, Aixia Yan
2021 J jnl
A comprehensive comparative assessment of 3D molecular similarity tools in ligand-based virtual screening.
Briefings Bioinform.
Zhenla Jiang, Jianrong Xu, Aixia Yan, Ling Wang
2021 J jnl
SAR study on inhibitors of Hsp90α using machine learning methods.
CCF Trans. High Perform. Comput.
Zhongyuan Zhang, Yujia Tian, Aixia Yan
2019 J jnl
Classification of Cyclooxygenase-2 Inhibitors Using Support Vector Machine and Random Forest Methods.
J. Chem. Inf. Model.
Zijian Qin, Yao Xi, Shengde Zhang, Guiping Tu, Aixia Yan
2018 J jnl
Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening.
J. Chem. Inf. Model.
Yue Kong, Andreas Bender, Aixia Yan
2012 J jnl
Human Oral Bioavailability Prediction of Four Kinds of Drugs.
Int. J. Comput. Model. Algorithms Medicine
Aixia Yan, Zhi Wang, Jiaxuan Li, Meng Meng
2012 J jnl
Prediction of Activity Cliffs Using Support Vector Machines.
J. Chem. Inf. Model.
Kathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath
2011 J jnl
P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set.
J. Chem. Inf. Model.
Zhi Wang, Yuanying Chen, Hu Liang, Andreas Bender, Robert C. Glen, Aixia Yan
2010 J jnl
Similarity Perception of Reactions Catalyzed by Oxidoreductases and Hydrolases Using Different Classification Methods.
J. Chem. Inf. Model.
Xiaoying Hu, Aixia Yan, Tianwei Tan, Oliver Sacher, Johann Gasteiger
2006 J jnl
Modeling of Gibbs Energy of Formation of Organic Compounds by Linear and Nonlinear Methods.
J. Chem. Inf. Model.
Aixia Yan
2004 J jnl
Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods.
J. Comput. Aided Mol. Des.
Aixia Yan, Johann Gasteiger, Michael Krug, Soheila Anzali
2003 J jnl
Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation.
J. Chem. Inf. Comput. Sci.
Aixia Yan, Johann Gasteiger
2001 J jnl
Research and Prediction of Coordination Reactions Between CPA-mA and Some Metal Ions using Artificial Neural Networks.
Comput. Chem.
Lijun Dong, Aixia Yan, Xingguo Chen, Hongping Xu, Zhide Hu
2000 J jnl
Use of Artificial Neural Networks to Predict the Gas Chromatographic Retention Index Data of Alkylbenzenes on Carbowax-20M.
Comput. Chem.
Aixia Yan, Guimei Jiao, Zhide Hu, Bo Tao Fan
1998 J jnl
Large Artificial Neural Networks Applied to the Prediction of Retention Indices of Acyclic and Cyclic Alkanes, Alkenes, Alcohols, Esters, Ketones and Ethers.
Comput. Chem.
Aixia Yan, Ruisheng Zhang, Mancang Liu, Zhide Hu, Martin A. Hooper, Zhengfeng Zhao