2009 |
12 | EE | Xue-Gang Yang,
Duan Chen,
Min Wang,
Ying Xue,
Yu Zong Chen:
Prediction of antibacterial compounds by machine learning approaches.
Journal of Computational Chemistry 30(8): 1202-1211 (2009) |
2008 |
11 | EE | 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.
Journal of Computational Chemistry 29(8): 1222-1232 (2008) |
10 | EE | Yong Wu,
Ying Xue,
Chan Kyung Kim:
Computational studies on the dimers and the thermal dimerization of norbornadiene.
Journal of Computational Chemistry 29(8): 1250-1258 (2008) |
2006 |
9 | EE | 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.
Journal of Computational Chemistry 27(9): 1045-1053 (2006) |
2005 |
8 | EE | 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.
Journal of Chemical Information and Modeling 45(5): 1376-1384 (2005) |
7 | EE | 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.
Journal of Computational Chemistry 26(10): 994-1005 (2005) |
2004 |
6 | EE | 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.
Journal of Chemical Information and Modeling 44(4): 1497-1505 (2004) |
5 | EE | Ying Xue,
Z. R. 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.
Journal of Chemical Information and Modeling 44(5): 1630-1638 (2004) |
4 | | Z. W. Cao,
Ying Xue,
L. Y. Han,
B. Xie,
H. Zhou,
C. J. Zheng,
H. H. Lin,
Yu Zong Chen:
MoViES: molecular vibrations evaluation server for analysis of fluctuational dynamics of proteins and nucleic acids.
Nucleic Acids Research 32(Web-Server-Issue): 679-685 (2004) |
2003 |
3 | EE | Yong Wu,
Daiqian Xie,
Ying Xue:
Ab initio studies for the photodissociation mechanism of hydroxyacetone.
Journal of Computational Chemistry 24(8): 931-938 (2003) |
2 | EE | Ying Xue,
Chun Ho Kang,
Chan Kyung Kim,
Ikchoon Lee:
Theoretical studies on the gas-phase pyrolysis of 2-phenoxycarboxylic acids: An ONIOM approach.
Journal of Computational Chemistry 24(8): 963-972 (2003) |
1994 |
1 | | Ying Xue,
Imin Kao:
Dextrous Sliding Manipulating Using Soft Fingertips.
ICRA 1994: 3397-3402 |