Ying Xue

18 papers Journal 18
YearRankTypeTitle / Venue / Authors
2013 J jnl
In silico prediction of spleen tyrosine kinase inhibitors using machine learning approaches and an optimized molecular descriptor subset generated by recursive feature elimination method.
Comput. Biol. Medicine
Bing-Ke Li, Yong Cong, Xue-Gang Yang, Ying Xue, Yi-Zong Chen
2012 J jnl
Mechanism for the reaction of 2-naphthol with
J. Comput. Chem.
Jie Ying Gao, Cheng Hua Zhang, Mei Ming Luo, Chan Kyung Kim, Wei Chu, Ying Xue
2011 J jnl
Effect of training data size and noise level on support vector machines virtual screening of genotoxic compounds from large compound libraries.
J. Comput. Aided Mol. Des.
Pankaj Kumar, Xiaohua Ma, Xianghui Liu, Jia Jia, Bu-Cong Han, Ying Xue, Ze-Rong Li, Sheng-Yong Yang, Yu-Quan Wei, Yuzong Chen
2011 J jnl
Reexamination of the π-bond strengths within H
J. Comput. Chem.
Jun-Xian Chen, Chang Kon Kim, Hai Whang Lee, Ying Xue, Chan Kyung Kim
2010 J jnl
Mechanisms of norbornadiene dimerization to Binor-S using cationic Co
J. Comput. Chem.
Yong Wu, Lu Jin, Ying Xue, Ik-Mo Lee, Chan Kyung Kim
2009 J jnl
Prediction of antibacterial compounds by machine learning approaches.
J. Comput. Chem.
Xue-Gang Yang, Duan Chen, Min Wang, Ying Xue, Yuzong Chen
2008 J jnl
Computational studies on the dimers and the thermal dimerization of norbornadiene.
J. Comput. Chem.
Yong Wu, Ying Xue, Chan Kyung Kim
2008 J jnl
Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds.
J. Chem. Inf. Model.
Xiao Hua Ma, R. Wang, S. Y. Yang, Z. R. Li, Ying Xue, Y. C. Wei, Boon Chuan Low, Yuzong Chen
2008 J jnl
Theoretical study on the hydrolysis mechanism of
J. Comput. Chem.
Yong Wu, Lu Jin, Ying Xue, Daiqian Xie, Chan Kyung Kim, Yong Guo, Guosen Yan
2006 J jnl
Ab initio potential energy surface and predicted microwave spectra for ArOCS dimer and structures of ArnOCS (n = 2-14) clusters.
J. Comput. Chem.
Hua Zhu, Yong Guo, Ying Xue, Daiqian Xie
2005 J jnl
DFT study and Monte Carlo simulation on proton transfers of 2-amino-2-oxazoline, 2-amino-2-thiazoline, and 2-amino-2-imidazoline in the gas phase and in water.
J. Comput. Chem.
Ying Xue, Chan Kyung Kim, Yong Guo, Daiqian Xie, Guosen Yan
2005 J jnl
Effect of Selection of Molecular Descriptors on the Prediction of Blood-Brain Barrier Penetrating and Nonpenetrating Agents by Statistical Learning Methods.
J. Chem. Inf. Model.
Hu Li, Chun Wei Yap, Choong Yong Ung, Ying Xue, Zhi Wei Cao, Yuzong Chen
2004 J jnl
A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2, 3-dihydroxypyridine.
J. Comput. Chem.
Weizhong Yan, Ying Xue, Hua Zhu, Jun Zeng, Daiqian Xie
2004 J jnl
Effect of Molecular Descriptor Feature Selection in Support Vector Machine Classification of Pharmacokinetic and Toxicological Properties of Chemical Agents.
J. Chem. Inf. Model.
Ying Xue, Ze-Rong Li, Chun Wei Yap, Li Zhi Sun, Xin Chen, Yuzong Chen
2004 J jnl
MoViES: molecular vibrations evaluation server for analysis of fluctuational dynamics of proteins and nucleic acids.
Nucleic Acids Res.
Zhi Wei Cao, Ying Xue, Lianyi Han, B. Xie, H. Zhou, C. J. Zheng, Honghuang Lin, Yuzong Chen
2004 J jnl
Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach.
J. Chem. Inf. Model.
Ying Xue, Chun Wei Yap, Li Zhi Sun, Zhi Wei Cao, J. F. Wang, Yuzong Chen
2003 J jnl
Ab initio studies for the photodissociation mechanism of hydroxyacetone.
J. Comput. Chem.
Yong Wu, Daiqian Xie, Ying Xue
2003 J jnl
Theoretical studies on the gas-phase pyrolysis of 2-phenoxycarboxylic acids: An ONIOM approach.
J. Comput. Chem.
Ying Xue, Chun Ho Kang, Chan Kyung Kim, Ikchoon Lee