Aixia Yan

Publication Activity (10 Years)

Years Active: 1998-2022
Publications (10 Years): 6

Top Topics

Artificial Neural Networks To Predict

Chemical Structures

Virtual Screening

Top Venues

J. Chem. Inf. Model.

Briefings Bioinform.

J. Cheminformatics

CCF Trans. High Perform. Comput.

Publications

Donghui Huo, Shiyu Wang, Yue Kong, Zijian Qin, Aixia Yan
Discovery of Novel Epidermal Growth Factor Receptor (EGFR) Inhibitors Using Computational Approaches. J. Chem. Inf. Model. 62 (21) (2022)
Yue Kong, Xiaoman Zhao, Ruizi Liu, Zhenwu Yang, Hongyan Yin, Bowen Zhao, Jinling Wang, Bingjie Qin, Aixia Yan
Integrating concept of pharmacophore with graph neural networks for chemical property prediction and interpretation. J. Cheminformatics 14 (1) (2022)
Zhongyuan Zhang, Yujia Tian, Aixia Yan
SAR study on inhibitors of Hsp90α using machine learning methods. CCF Trans. High Perform. Comput. 3 (4) (2021)
Zhenla Jiang, Jianrong Xu, Aixia Yan, Ling Wang
A comprehensive comparative assessment of 3D molecular similarity tools in ligand-based virtual screening. Briefings Bioinform. 22 (6) (2021)
Zijian Qin, Yao Xi, Shengde Zhang, Guiping Tu, Aixia Yan
Classification of Cyclooxygenase-2 Inhibitors Using Support Vector Machine and Random Forest Methods. J. Chem. Inf. Model. 59 (5) (2019)
Yue Kong, Andreas Bender, Aixia Yan
Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening. J. Chem. Inf. Model. 58 (1) (2018)
Aixia Yan, Zhi Wang, Jiaxuan Li, Meng Meng
Human Oral Bioavailability Prediction of Four Kinds of Drugs. Int. J. Comput. Model. Algorithms Medicine 3 (4) (2012)
Kathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath
Prediction of Activity Cliffs Using Support Vector Machines. J. Chem. Inf. Model. 52 (9) (2012)
Zhi Wang, Yuanying Chen, Hu Liang, Andreas Bender, Robert C. Glen, Aixia Yan
P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set. J. Chem. Inf. Model. 51 (6) (2011)
Xiaoying Hu, Aixia Yan, Tianwei Tan, Oliver Sacher, Johann Gasteiger
Similarity Perception of Reactions Catalyzed by Oxidoreductases and Hydrolases Using Different Classification Methods. J. Chem. Inf. Model. 50 (6) (2010)
Aixia Yan
Modeling of Gibbs Energy of Formation of Organic Compounds by Linear and Nonlinear Methods. J. Chem. Inf. Model. 46 (6) (2006)
Aixia Yan, Johann Gasteiger, Michael Krug, Soheila Anzali
Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods. J. Comput. Aided Mol. Des. 18 (2) (2004)
Aixia Yan, Johann Gasteiger
Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation. J. Chem. Inf. Comput. Sci. 43 (2) (2003)
Lijun Dong, Aixia Yan, Xingguo Chen, Hongping Xu, Zhide Hu
Research and Prediction of Coordination Reactions Between CPA-mA and Some Metal Ions using Artificial Neural Networks. Comput. Chem. 25 (6) (2001)
Aixia Yan, Guimei Jiao, Zhide Hu, Bo Tao Fan
Use of Artificial Neural Networks to Predict the Gas Chromatographic Retention Index Data of Alkylbenzenes on Carbowax-20M. Comput. Chem. 24 (2) (2000)
Aixia Yan, Ruisheng Zhang, Mancang Liu, Zhide Hu, Martin A. Hooper, Zhengfeng Zhao
Large Artificial Neural Networks Applied to the Prediction of Retention Indices of Acyclic and Cyclic Alkanes, Alkenes, Alcohols, Esters, Ketones and Ethers. Comput. Chem. 22 (5) (1998)