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ORCIDYing Xue 0001
Person information
- affiliation: Sichuan University, College of Chemistry, Chengdu, China
Other persons with the same name
- Ying Xue — disambiguation page
- Ying Xue 0002
![[0000-0001-8533-7515]](https://dblp.uni-trier.de./img/orcid-mark.12x12.png "0000-0001-8533-7515")
— University of Birmingham, Department of Electronic, Electrical and Systems Engineering, UK
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Journal Articles
- 2013
[j19]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): 395-404 (2013)- 2012
- [j18]Jie Ying Gao, Cheng Hua Zhang, Mei Ming Luo, Chan Kyung Kim, Wei Chu, Ying Xue:
Mechanism for the reaction of 2-naphthol with N-methyl-N-phenyl-hydrazine suggested by the density functional theory investigations. J. Comput. Chem. 33(2): 220-230 (2012) - 2011
- [j17]Pankaj Kumar, Xiao Hua Ma, Xianghui Liu, Jia Jia, Bu-Cong Han, Ying Xue, Ze-Rong Li, Sheng-Yong Yang, Yu-Quan Wei, Yuzong 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): 455-467 (2011) - [j16]Jun-Xian Chen, Chang Kon Kim, Hai Whang Lee, Ying Xue, Chan Kyung Kim:
Reexamination of the π-bond strengths within H2C=XHn systems: A theoretical study. J. Comput. Chem. 32(7): 1361-1367 (2011) - 2010
- [j15]Xue-Gang Yang, Wei Lv, Yuzong Chen, Ying Xue:
In silico prediction and screening of gamma-secretase inhibitors by molecular descriptors and machine learning methods. J. Comput. Chem. 31(6): 1249-1258 (2010) - [j14]Yong Wu, Lu Jin, Ying Xue, Ik-Mo Lee, Chan Kyung Kim:
Mechanisms of norbornadiene dimerization to Binor-S using cationic CoI, RhI, and IrI catalysts. J. Comput. Chem. 31(12): 2248-2257 (2010) - 2009
- [j13]Xue-Gang Yang, Duan Chen, Min Wang, Ying Xue, Yuzong Chen:
Prediction of antibacterial compounds by machine learning approaches. J. Comput. Chem. 30(8): 1202-1211 (2009) - 2008
- [j12]Yong Wu, Lu Jin, Ying Xue, Daiqian Xie, Chan Kyung Kim, Yong Guo, Guosen Yan:
Theoretical study on the hydrolysis mechanism of N, N-dimethyl-N'-(2-oxo-1, 2-dihydro-pyrimidinyl)formamidine: Water-assisted mechanism and cluster-continuum model. J. Comput. Chem. 29(8): 1222-1232 (2008) - [j11]Yong Wu, Ying Xue, Chan Kyung Kim:
Computational studies on the dimers and the thermal dimerization of norbornadiene. J. Comput. Chem. 29(8): 1250-1258 (2008) - [j10]Xiao Hua Ma, R. Wang, S. Y. Yang, Z. R. Li, Ying Xue, Y. C. Wei, Boon Chuan Low, Yuzong Chen:
Evaluation of Virtual Screening Performance of Support Vector Machines Trained by Sparsely Distributed Active Compounds. J. Chem. Inf. Model. 48(6): 1227-1237 (2008) - 2006
- [j9]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): 1045-1053 (2006) - 2005
- [j8]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): 994-1005 (2005) - [j7]Hu Li, Chun Wei Yap, Choong Yong Ung, Ying Xue, Zhi Wei Cao, Yuzong 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): 1376-1384 (2005) - 2004
- [j6]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): 1833-1839 (2004) - [j5]Ying Xue, Chun Wei Yap, Li Zhi Sun, Zhi Wei Cao, J. F. Wang, Yuzong Chen:
Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach. J. Chem. Inf. Model. 44(4): 1497-1505 (2004) - [j4]Ying Xue, Ze-Rong Li, Chun Wei Yap, Li Zhi Sun, Xin Chen, Yuzong 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): 1630-1638 (2004) - [j3]Zhi Wei Cao, Ying Xue, Lianyi Han, B. Xie, H. Zhou, C. J. Zheng, Honghuang Lin, Yuzong Chen:
MoViES: molecular vibrations evaluation server for analysis of fluctuational dynamics of proteins and nucleic acids. Nucleic Acids Res. 32(Web-Server-Issue): 679-685 (2004) - 2003
- [j2]Yong Wu, Daiqian Xie, Ying Xue:
Ab initio studies for the photodissociation mechanism of hydroxyacetone. J. Comput. Chem. 24(8): 931-938 (2003) - [j1]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): 963-972 (2003)
Coauthor Index
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