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2020 – today
- 2022
[j16]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): 52 (2022)- [j15]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): 5149-5164 (2022) - 2021
- [j14]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) - [j13]Zhongyuan Zhang, Yujia Tian, Aixia Yan:
SAR study on inhibitors of Hsp90α using machine learning methods. CCF Trans. High Perform. Comput. 3(4): 353-364 (2021)
2010 – 2019
- 2019
- [j12]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): 1988-2008 (2019) - 2018
- [j11]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): 36-47 (2018) - 2012
- [j10]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): 29-42 (2012) - [j9]Kathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath:
Prediction of Activity Cliffs Using Support Vector Machines. J. Chem. Inf. Model. 52(9): 2354-2365 (2012) - 2011
- [j8]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): 1447-1456 (2011) - 2010
- [j7]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): 1089-1100 (2010)
2000 – 2009
- 2006
- [j6]Aixia Yan:
Modeling of Gibbs Energy of Formation of Organic Compounds by Linear and Nonlinear Methods. J. Chem. Inf. Model. 46(6): 2299-2304 (2006) - 2004
- [j5]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): 75-87 (2004) - 2003
- [j4]Aixia Yan, Johann Gasteiger:
Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation. J. Chem. Inf. Comput. Sci. 43(2): 429-434 (2003) - 2001
- [j3]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): 551-558 (2001) - 2000
- [j2]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): 171-179 (2000)
1990 – 1999
- 1998
- [j1]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): 405-412 (1998)
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