Quantitative structure-activity relationship studies of a series of non-benzodiazepine structural ligands binding to benzodiazepine receptorBINBIN XIA; WEIPING MA; BO ZHENG et al.European journal of medicinal chemistry. 2008, Vol 43, Num 7, pp 1489-1498, issn 0223-5234, 10 p.Article

Prediction of gas-phase reduced ion mobility constants (K₀) based on the multiple linear regression and projection pursuit regressionHUANXIANG LIU; XIAOJUN YAO; MANCANG LIU et al.Talanta (Oxford). 2007, Vol 71, Num 1, pp 258-263, issn 0039-9140, 6 p.Article

Study on adsorption behavior of volatile and semivolatile organic vapors to air-dry soils based on QSPR methodsHUANXIANG LIU; XIAOJUN YAO; MANCANG LIU et al.Environmental pollution (1987). 2007, Vol 147, Num 1, pp 41-49, issn 0269-7491, 9 p.Article

Prediction of retention in micellar electrokinetic chromatography based on molecular structural descriptors by using the heuristic methodHUANXIANG LIU; XIAOJUN YAO; MANCANG LIU et al.Analytica chimica acta. 2006, Vol 558, Num 1-2, pp 86-93, issn 0003-2670, 8 p.Article

Prediction of T-cell epitopes based on least squares support vector machines and amino acid propertiesSHUYAN LI; XIAOJUN YAO; HUANXIANG LIU et al.Analytica chimica acta. 2007, Vol 584, Num 1, pp 37-42, issn 0003-2670, 6 p.Article

Classification study of skin sensitizers based on support vector machine and linear discriminant analysisYUEYING REN; HUANXIANG LIU; CHUNXIA XUE et al.Analytica chimica acta. 2006, Vol 572, Num 2, pp 272-282, issn 0003-2670, 11 p.Article

The accurate QSPR models to predict the bioconcentration factors of nonionic organic compounds based on the heuristic method and support vector machineHUANXIANG LIU; XIAOJUN YAO; RUISHENG ZHANG et al.Chemosphere (Oxford). 2006, Vol 63, Num 5, pp 722-733, issn 0045-6535, 12 p.Article

Study of quantitative structure-mobility relationship of carboxylic and sulphonic acids in capillary electrophoresisCHUNXIA XUE; HUANXIANG LIU; XIAOJUN YAO et al.Journal of chromatography. 2004, Vol 1048, Num 2, pp 233-243, issn 0021-9673, 11 p.Article

Prediction of gas chromatographic retention indices by the use of radial basis function neural networksXIAOJUN YAO; XIAOYUN ZHANG; RUISHENG ZHANG et al.Talanta (Oxford). 2002, Vol 57, Num 2, pp 297-306, issn 0039-9140Article

Screening Rules for Leads of Fungicides, Herbicides, and InsecticidesBIN LIU; FUCHENG ZHU; YING HUANG et al.Journal of agricultural and food chemistry (Print). 2010, Vol 58, Num 5, pp 2673-2684, issn 0021-8561, 12 p.Article

Study of quantitative structure-mobility relationship of the peptides based on the structural descriptors and support vector machinesHUANXIANG LIU; XIAOJUN YAO; CHUNXIA XUE et al.Analytica chimica acta. 2005, Vol 542, Num 2, pp 249-259, issn 0003-2670, 11 p.Article

Study of the relationship between the structure and the relative mobility of chlorophenols in different buffers modified by different organic additives by capillary zone electrophoresisYAWEI WANG; SULIAN GAO; YUHONG GAO et al.Analytica chimica acta. 2003, Vol 486, Num 2, pp 191-197, issn 0003-2670, 7 p.Article

Prediction of surface tension for common compounds based on novel methods using heuristic method and support vector machineJIE WANG; HONGYING DU; HUANXIANG LIU et al.Talanta (Oxford). 2007, Vol 73, Num 1, pp 147-156, issn 0039-9140, 10 p.Article

Structure-activity relationship study of oxindole-based inhibitors of cyclin-dependent kinases based on least-squares support vector machinesJIAZHONG LI; HUANXIANG LIU; XIAOJUN YAO et al.Analytica chimica acta. 2007, Vol 581, Num 2, pp 333-342, issn 0003-2670, 10 p.Article

The accurate QSPR models for the prediction of nonionic surfactant cloud pointYUEYING REN; HUANXIANG LIU; XIAOJUN YAO et al.Journal of colloid and interface science. 2006, Vol 302, Num 2, pp 669-672, issn 0021-9797, 4 p.Article

Asymmetric synthesis of α,α-disubstituted α-amino acids by diastereoselective alkylation of camphor-based tricyclic iminolactoneXU, Peng-Fei; SHUO LI; LU, Ta-Jung et al.Journal of organic chemistry. 2006, Vol 71, Num 12, pp 4364-4373, issn 0022-3263, 10 p.Article

Molecular modeling studies of N-substituted pyrrole derivatives : Potential HIV-1 gp41 inhibitorsTEIXEIRA, Catia; BARBAULT, Florent; REBEHMED, Joseph et al.Bioorganic & medicinal chemistry. 2008, Vol 16, Num 6, pp 3039-3048, issn 0968-0896, 10 p.Article

Prediction of milk/plasma drug concentration (M/P) ratio using support vector machine (SVM) methodCHUNYAN ZHAO; HAIXIA ZHANG; XIAOYUN ZHANG et al.Pharmaceutical research. 2006, Vol 23, Num 1, pp 41-48, issn 0724-8741, 8 p.Article

Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome siteBARBAULT, Florent; BO REN; REBEHMED, Joseph et al.European journal of medicinal chemistry. 2008, Vol 43, Num 8, pp 1648-1656, issn 0223-5234, 9 p.Article