List of works - Aixia Yan

An optimum fermentation model established by genetic algorithm for biotransformation from crude polydatin to resveratrol

scientific article published on 12 November 2011

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

scientific article

Aurora-A kinase inhibitor scaffolds and binding modes

scientific article published on 13 December 2010

Carcinogenicity prediction of noncongeneric chemicals by a support vector machine

scientific article published on 11 April 2013

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

scientific article published on 26 June 2012

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

scientific article published on 21 January 2011

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

scientific article published on 26 February 2019

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

scientific article published on 6 January 2016

Classification of Plasmodium falciparum glucose-6-phosphate dehydrogenase inhibitors by support vector machine

scientific article published on 9 May 2013

Classification of acetylcholinesterase inhibitors and decoys by a support vector machine

scientific article published in July 2012

Computational models for the classification of mPGES-1 inhibitors with fingerprint descriptors

scientific article published on 8 May 2017

Computational models on quantitative prediction of bioactivity of HIV-1 integrase 3' processing inhibitors

scientific article published on 14 August 2014

Computer modeling in predicting the bioactivity of human 5-lipoxygenase inhibitors

scientific article published on 30 November 2016

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

scientific article published on 2 November 2012

Discriminating of HMG-CoA reductase inhibitors and decoys using self-organizing maps

scientific article published on 12 November 2010

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

scientific article published on December 2008

Explorations into modeling human oral bioavailability

scientific article published on 28 May 2008

Fingerprint-based computational models of 5-lipo-oxygenase activating protein inhibitors: Activity prediction and structure clustering

scientific article published on 01 September 2020

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

scientific article published on 4 December 2017

In Silico Models to Discriminate Compounds Inducing and Noninducing Toxic Myopathy

scientific article published on 20 December 2011

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

scientific article published on 12 August 2011

In-silico prediction of blood-brain barrier permeability

scientific article published on 24 October 2012

Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods

scientific article published on 01 February 2004

Modeling of Gibbs energy of formation of organic compounds by linear and nonlinear methods

scientific article published in November 2006

One-pot Synthesis of Soluble Nanoscale CIGS Photoactive Functional Materials

scientific article

P-glycoprotein substrate models using support vector machines based on a comprehensive data set.

scientific article

Predicting the standard enthalpy (deltaH0f) and entropy (S0) of alkanes by artificial neural networks

scientific article published on January 2000

Prediction of activity cliffs using support vector machines

scientific article published on 23 August 2012

Prediction of aqueous solubility of organic compounds based on a 3D structure representation

scientific article published on March 2003

Prediction of bioactivity of ACAT2 inhibitors by multilinear regression analysis and support vector machine

scientific article published on 9 May 2013

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

scientific article published on 27 January 2013

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

scientific article published on 3 March 2011

Prediction of sweetness by multilinear regression analysis and support vector machine

scientific article published on 5 August 2013

Probability Based hERG Blocker Classifiers

scientific article published on 07 September 2012

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

scientific article published on 3 May 2017

QSAR study on the antimalarial activity of Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors

scientific article published in February 2016

Quantitative structure and bioactivity relationship study on HCV NS5B polymerase inhibitors

scientific article published on 28 November 2013

Quantitative structure and bioactivity relationship study on human acetylcholinesterase inhibitors

scientific article published on 11 March 2012

Research and prediction of coordination reactions between CPA-mA and some metal ions using artificial neural networks.

scientific article published in November 2001

SAR and QSAR study on the bioactivities of human epidermal growth factor receptor-2 (HER2) inhibitors

scientific article published on 14 February 2017

SAR study on inhibitors of GIIA secreted phospholipase A2 using machine learning methods

scientific article published on 04 February 2019

Similarity perception of reactions catalyzed by oxidoreductases and hydrolases using different classification methods.

scientific article published in June 2010

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

scientific article published on 9 September 2013

Targeting HIV-1 integrase with strand transfer inhibitors

scientific article published on 6 December 2014

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

scientific article published on 15 January 2016

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

scientific article published on 4 November 2012

List of works by Aixia Yan

An optimum fermentation model established by genetic algorithm for biotransformation from crude polydatin to resveratrol

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

Aurora-A kinase inhibitor scaffolds and binding modes

Carcinogenicity prediction of noncongeneric chemicals by a support vector machine

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

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

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

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

Classification of Plasmodium falciparum glucose-6-phosphate dehydrogenase inhibitors by support vector machine

Classification of acetylcholinesterase inhibitors and decoys by a support vector machine

Computational models for the classification of mPGES-1 inhibitors with fingerprint descriptors

Computational models on quantitative prediction of bioactivity of HIV-1 integrase 3' processing inhibitors

Computer modeling in predicting the bioactivity of human 5-lipoxygenase inhibitors

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

Discriminating of HMG-CoA reductase inhibitors and decoys using self-organizing maps

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

Explorations into modeling human oral bioavailability

Fingerprint-based computational models of 5-lipo-oxygenase activating protein inhibitors: Activity prediction and structure clustering

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

In Silico Models to Discriminate Compounds Inducing and Noninducing Toxic Myopathy

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

In-silico prediction of blood-brain barrier permeability

Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods

Modeling of Gibbs energy of formation of organic compounds by linear and nonlinear methods

One-pot Synthesis of Soluble Nanoscale CIGS Photoactive Functional Materials

P-glycoprotein substrate models using support vector machines based on a comprehensive data set.

Predicting the standard enthalpy (deltaH0f) and entropy (S0) of alkanes by artificial neural networks

Prediction of activity cliffs using support vector machines

Prediction of aqueous solubility of organic compounds based on a 3D structure representation

Prediction of bioactivity of ACAT2 inhibitors by multilinear regression analysis and support vector machine

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

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

Prediction of sweetness by multilinear regression analysis and support vector machine

Probability Based hERG Blocker Classifiers

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

QSAR study on the antimalarial activity of Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) inhibitors

Quantitative structure and bioactivity relationship study on HCV NS5B polymerase inhibitors

Quantitative structure and bioactivity relationship study on human acetylcholinesterase inhibitors

Research and prediction of coordination reactions between CPA-mA and some metal ions using artificial neural networks.

SAR and QSAR study on the bioactivities of human epidermal growth factor receptor-2 (HER2) inhibitors

SAR study on inhibitors of GIIA secreted phospholipase A2 using machine learning methods

Similarity perception of reactions catalyzed by oxidoreductases and hydrolases using different classification methods.

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

Targeting HIV-1 integrase with strand transfer inhibitors

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

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