Aixia Yan

发表

Application of artificial neural networks for prediction of the retention indices of alkylbenzenes

Han Liu, Ruisheng Zhang, Mancang Liu, 1999 .

Discriminating of ATP competitive Src kinase inhibitors and decoys using self-organizing map and support vector machine

Aixia Yan, Xiaoying Hu, Kai Wang, 2013, Molecular Diversity.

In silico prediction of rhabdomyolysis of compounds by self-organizing map and support vector machine.

Aixia Yan, Xiaoying Hu, A. Yan, 2011, Toxicology in vitro : an international journal published in association with BIBRA.

Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening

Andreas Bender, Aixia Yan, Yue Kong, 2017, J. Chem. Inf. Model..

Classification of Blood‐Brain Barrier Permeation by Kohonen's Self‐Organizing Neural Network (KohNN) and Support Vector Machine (SVM)

Zhi Wang, Aixia Yan, Qipeng Yuan, 2009 .

Discrimination of Active and Weakly Active Human BACE1 Inhibitors Using Self-Organizing Map and Support Vector Machine.

Hang Li, Maolin Wang, Aixia Yan, 2016, Combinatorial chemistry & high throughput screening.

Classification of Cyclooxygenase-2 Inhibitors Using Support Vector Machine and Random Forest Methods

Aixia Yan, Shengde Zhang, Yao Xi, 2019, J. Chem. Inf. Model..

Self-Organizing Map (SOM) and Support Vector Machine (SVM) Models for the Prediction of Human Epidermal Growth Factor Receptor (EGFR/ ErbB-1) Inhibitors.

Aixia Yan, Dan Qu, Yue Kong, 2016, Combinatorial chemistry & high throughput screening.

Application of self-organizing maps in compounds pattern recognition and combinatorial library design.

Aixia Yan, 2006, Combinatorial chemistry & high throughput screening.

Using self-organizing map (SOM) and support vector machine (SVM) for classification of selectivity of ACAT inhibitors

Bin Dai, Ling Wang, Aixia Yan, 2012, Molecular Diversity.

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

Johann Gasteiger, Aiping Lu, Aixia Yan, 2016, Molecular informatics.

Classification of HIV-1 Protease Inhibitors by Machine Learning Methods

Yang Li, Aixia Yan, Zijian Qin, 2018, ACS omega.

Probability Based hERG Blocker Classifiers

Zhi Wang, Aixia Yan, Robert Lowe, 2012, Molecular informatics.

An Optimum Fermentation Model Established by Genetic Algorithm for Biotransformation from Crude Polydatin to Resveratrol

Aixia Yan, Yang Chong, Xiaoying Yang, 2011, Applied Biochemistry and Biotechnology.

Carcinogenicity prediction of noncongeneric chemicals by a support vector machine.

Aixia Yan, Qipeng Yuan, A. Yan, 2013, Chemical research in toxicology.

Dynamics of conserved waters in human Hsp90: implications for drug design

Aixia Yan, Guy H Grant, A. Yan, 2008, Journal of The Royal Society Interface.

Classification of HCV NS5B Polymerase Inhibitors Using Support Vector Machine

Aixia Yan, Maolin Wang, Changyuan Yu, 2012, International journal of molecular sciences.

Classification of acetylcholinesterase inhibitors and decoys by a support vector machine.

Aixia Yan, Kai Wang, Xiaoying Hu, 2012, Combinatorial chemistry & high throughput screening.

Prediction of sweetness by multilinear regression analysis and support vector machine.

Aixia Yan, Qipeng Yuan, Yang Chong, 2013, Journal of food science.

Prediction of biological activity of Aurora-A kinase inhibitors by multilinear regression analysis and support vector machine.

Aixia Yan, Yang Chong, A. Yan, 2011, Bioorganic & medicinal chemistry letters.

Classification of Aurora‐A Kinase Inhibitors Using Self‐Organizing Map (SOM) and Support Vector Machine (SVM)

Aixia Yan, Qipeng Yuan, Zhi Wang, 2011, Molecular informatics.

Quantitative structure and bioactivity relationship study on HCV NS5B polymerase inhibitors

Aixia Yan, Maolin Wang, Changyuan Yu, 2014, SAR and QSAR in environmental research.

Using Support Vector Machine (SVM) for Classification of Selectivity of H1N1 Neuraminidase Inhibitors

Aixia Yan, Yang Li, Yue Kong, 2016, Molecular informatics.

Classification of Aurora kinase inhibitors by self-organizing map (SOM) and support vector machine (SVM).

Aixia Yan, Maolin Wang, A. Yan, 2013, European journal of medicinal chemistry.

Prediction of bioactivity of HIV-1 integrase ST inhibitors by multilinear regression analysis and support vector machine.

Aixia Yan, Jun Liu, A. Yan, 2013, Bioorganic & medicinal chemistry letters.

Prediction of Human Intestinal Absorption by GA Feature Selection and Support Vector Machine Regression

Aixia Yan, A. Yan, Zhi Wang, 2008, International journal of molecular sciences.

Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation.

Johann Gasteiger, Aixia Yan, J. Gasteiger, 2003 .

QSAR studies of the bioactivity of hepatitis C virus (HCV) NS3/4A protease inhibitors by multiple linear regression (MLR) and support vector machine (SVM).

Aixia Yan, Maolin Wang, Zijian Qin, 2017, Bioorganic & medicinal chemistry letters.

Explorations into modeling human oral bioavailability.

Johann Gasteiger, Aixia Yan, Qipeng Yuan, 2008, European journal of medicinal chemistry.

Support Vector Machine (SVM) Models for Predicting Inhibitors of the 3′ Processing Step of HIV‐1 Integrase

Aixia Yan, Johannes Kirchmair, Maolin Wang, 2013, Molecular informatics.