Ying Xue

Publication Activity (10 Years)

Years Active: 2003-2013
Publications (10 Years): 0

Top Topics

Theoretical Basis

Classification Accuracy

Machine Learning Approaches

Top Venues

J. Comput. Chem.

Comput. Biol. Medicine

Publications

Bing-Ke Li, Yong Cong, Xue-Gang Yang, Ying Xue, Yi-Zong Chen
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 43 (4) (2013)
Jie Ying Gao, Cheng Hua Zhang, Mei Ming Luo, Chan Kyung Kim, Wei Chu, Ying Xue
-phenyl-hydrazine suggested by the density functional theory investigations. J. Comput. Chem. 33 (2) (2012)
Jun-Xian Chen, Chang Kon Kim, Hai Whang Lee, Ying Xue, Chan Kyung Kim
systems: A theoretical study. J. Comput. Chem. 32 (7) (2011)
Pankaj Kumar, Xiao Hua Ma, Xianghui Liu, Jia Jia, Bu-Cong Han, Ying Xue, Ze-Rong Li, Sheng-Yong Yang, Yu-Quan Wei, Yu Zong Chen
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. 25 (5) (2011)
Xue-Gang Yang, Wei Lv, Yu Zong Chen, Ying Xue
prediction and screening of gamma-secretase inhibitors by molecular descriptors and machine learning methods. J. Comput. Chem. 31 (6) (2010)
Yong Wu, Lu Jin, Ying Xue, Ik-Mo Lee, Chan Kyung Kim
catalysts. J. Comput. Chem. 31 (12) (2010)
Xue-Gang Yang, Duan Chen, Min Wang, Ying Xue, Yu Zong Chen
Prediction of antibacterial compounds by machine learning approaches. J. Comput. Chem. 30 (8) (2009)
Yong Wu, Lu Jin, Ying Xue, Daiqian Xie, Chan Kyung Kim, Yong Guo, Guosen Yan
-dimethyl-N'-(2-oxo-1, 2-dihydro-pyrimidinyl)formamidine: Water-assisted mechanism and cluster-continuum model. J. Comput. Chem. 29 (8) (2008)
Yong Wu, Ying Xue, Chan Kyung Kim
Computational studies on the dimers and the thermal dimerization of norbornadiene. J. Comput. Chem. 29 (8) (2008)
Xiao Hua Ma, R. Wang, S. Y. Yang, Z. R. Li, Ying Xue, Y. C. Wei, Boon Chuan Low, Yu Zong Chen
Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds. J. Chem. Inf. Model. 48 (6) (2008)
Hua Zhu, Yong Guo, Ying Xue, Daiqian Xie
Ab initio potential energy surface and predicted microwave spectra for ArOCS dimer and structures of ArnOCS (n = 2-14) clusters. J. Comput. Chem. 27 (9) (2006)
Ying Xue, Chan Kyung Kim, Yong Guo, Daiqian Xie, Guosen Yan
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. 26 (10) (2005)
Hu Li, Chun Wei Yap, Choong Yong Ung, Ying Xue, Zhi Wei Cao, Yu Zong Chen
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. 45 (5) (2005)
Ying Xue, Chun Wei Yap, Li Zhi Sun, Zhi Wei Cao, J. F. Wang, Yu Zong Chen
Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach. J. Chem. Inf. Model. 44 (4) (2004)
Ying Xue, Ze-Rong Li, Chun Wei Yap, Li Zhi Sun, Xin Chen, Yu Zong Chen
Effect of Molecular Descriptor Feature Selection in Support Vector Machine Classification of Pharmacokinetic and Toxicological Properties of Chemical Agents. J. Chem. Inf. Model. 44 (5) (2004)
Weizhong Yan, Ying Xue, Hua Zhu, Jun Zeng, Daiqian Xie
A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2, 3-dihydroxypyridine. J. Comput. Chem. 25 (15) (2004)
Zhi Wei Cao, Ying Xue, L. Y. Han, B. Xie, H. Zhou, C. J. Zheng, Honghuang Lin, Yu Zong Chen
MoViES: molecular vibrations evaluation server for analysis of fluctuational dynamics of proteins and nucleic acids. Nucleic Acids Res. 32 (Web-Server-Issue) (2004)
Ying Xue, Chun Ho Kang, Chan Kyung Kim, Ikchoon Lee
Theoretical studies on the gas-phase pyrolysis of 2-phenoxycarboxylic acids: An ONIOM approach. J. Comput. Chem. 24 (8) (2003)
Yong Wu, Daiqian Xie, Ying Xue
Ab initio studies for the photodissociation mechanism of hydroxyacetone. J. Comput. Chem. 24 (8) (2003)