Ying Xue
Orcid: 0000-0002-3053-5837Affiliations:
- Sichuan University, College of Chemistry, Chengdu, China
According to our database1,
Ying Xue
authored at least 19 papers
between 2003 and 2013.
Collaborative distances:
Collaborative distances:
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Bibliography
2013
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, 2013
2012
Mechanism for the reaction of 2-naphthol with <i>N</i>-methyl-<i>N</i>-phenyl-hydrazine suggested by the density functional theory investigations.
J. Comput. Chem., 2012
2011
Reexamination of the π-bond strengths within H<sub>2</sub>C=XH<sub><i>n</i></sub> systems: A theoretical study.
J. Comput. Chem., 2011
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., 2011
2010
<i>In silico</i> prediction and screening of gamma-secretase inhibitors by molecular descriptors and machine learning methods.
J. Comput. Chem., 2010
Mechanisms of norbornadiene dimerization to Binor-S using cationic Co<sup>I</sup>, Rh<sup>I</sup>, and Ir<sup>I</sup> catalysts.
J. Comput. Chem., 2010
2009
J. Comput. Chem., 2009
2008
Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds.
J. Chem. Inf. Model., 2008
J. Comput. Chem., 2008
Theoretical study on the hydrolysis mechanism of <i>N</i>, <i>N</i>-dimethyl-N'-(2-oxo-1, 2-dihydro-pyrimidinyl)formamidine: Water-assisted mechanism and cluster-continuum model.
J. Comput. Chem., 2008
2006
Ab initio potential energy surface and predicted microwave spectra for ArOCS dimer and structures of ArnOCS (n = 2-14) clusters.
J. Comput. Chem., 2006
2005
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., 2005
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., 2005
2004
MoViES: molecular vibrations evaluation server for analysis of fluctuational dynamics of proteins and nucleic acids.
Nucleic Acids Res., 2004
J. Chem. Inf. Model., 2004
Effect of Molecular Descriptor Feature Selection in Support Vector Machine Classification of Pharmacokinetic and Toxicological Properties of Chemical Agents.
J. Chem. Inf. Model., 2004
A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2, 3-dihydroxypyridine.
J. Comput. Chem., 2004
2003
Theoretical studies on the gas-phase pyrolysis of 2-phenoxycarboxylic acids: An ONIOM approach.
J. Comput. Chem., 2003
J. Comput. Chem., 2003