【期刊论文】Effects of Substituents and Solvents on the Reactions of Iminophosphorane with Formaldehyde: Ab Initio MO Calculation and Monte Carlo Simulation
薛英,Ying Xue and Chan Kyung Kim*
【期刊论文】Effect of Molecular Descriptor Feature Selection in Support Vector Machine Classification of Pharmacokinetic and Toxicological Properties of Chemical Agents
薛英,Y. Xue,†,‡,§ Z. R. Li,§ C. W. Yap,† L. Z. Sun,† X. Chen,† and Y. Z. Chen*
【期刊论文】A Computational Study on the Mechanism for the Chemical Fixation of Nitric Oxide Leading to 1,2,3-Oxadiazole 3-oxide
薛英,Yong Wu,† Ying Xue,*,† Daiqian Xie,†,‡ and Guosen Yan†
【期刊论文】Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach
薛英,Y. Xue,†,‡,§ C. W. Yap,† L. Z. Sun,† Z. W. Cao,† J. F. Wang,† and Y. Z. Chen*
【期刊论文】Prediction of Torsade-Causing Potential of Drugs by Support Vector Machine Approach
薛英,C. W. Yap,* C. Z. Cai,*,† Y. Xue,‡ and Y. Z. Chen*,
【期刊论文】Theoretical Study of the aza-Wittig Reactions of X3PdNH (X=H and Cl) with Formaldehyde in Gas Phase and in Solution
薛英,Ying Xue,* Daiqian Xie, and Guosen Yan
【期刊论文】Classification of a Diverse Set of Tetrahymena pyriformis Toxicity Chemical Compounds from Molecular Descriptors by Statistical Learning Methods
薛英,Y. Xue,†,§,# H. Li,# C. Y. Ung,‡ C. W. Yap,† and Y. Z. Chen*
【期刊论文】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
薛英,YING XUE, CHAN KYUNG KIM, YONG GUO, DAI QIAN XIE,, GUO SEN YAN
【期刊论文】Theoretical Studies on the Gas-Phase Pyrolysis of 2-Phenoxycarboxylic Acids: An ONIOM Approach
薛英,YING XUE, CHUN HO KANG, CHAN KYUNG KIM, IKCHOON LEE
【期刊论文】MoViES: molecular vibrations evaluation server for analysis of fluctuational dynamics of proteins and
nucleic acids
薛英,Z. W. Cao,, Y. Xue, L. Y. Han, B. Xie, H. Zhou, C. J. Zheng, H. H. Lin and Y. Z. Chen,*