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Journal of Chemical Information and Computer Sciences|September 28, 2004
Group-theoretical discussion on the E/Z-nomenclature for ethylene derivatives. Discrimination between RS-stereoisomeric groups and stereoisomeric groupsShinsaku FujitaJournal of Chemical Information and Computer Sciences|September 28, 2004
Novel receptor surface approach for 3D-QSAR: the weighted probe interaction energy methodChong Hak Chae, Sung-Eun Yoo, Whanchul ShinJournal of Chemical Information and Computer Sciences|September 28, 2004
A comparative study on feature selection methods for drug discoveryYing LiuJournal of Chemical Information and Computer Sciences|September 28, 2004
Insights into phenylalanine derivatives recognition of VLA-4 integrin: from a pharmacophoric study to 3D-QSAR and molecular docking analysesAntonio Macchiarulo, Gabriele Costantino, Mirco Meniconi, et al.Journal of Chemical Information and Computer Sciences|July 27, 2004
Structural interpretation of the topological index. 2. The molecular connectivity index, the Kappa index, and the atom-type E-State indexQian-Nan Hu, Yi-Zeng Liang, Hong Yin, et al.Journal of Chemical Information and Computer Sciences|July 27, 2004
Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regressionX J Yao, A Panaye, J P Doucet, et al.Journal of Chemical Information and Computer Sciences|July 27, 2004
Similarity search profiles as a diagnostic tool for the analysis of virtual screening calculationsLing Xue, Jeffrey W Godden, Florence L Stahura, et al.Journal of Chemical Information and Computer Sciences|July 27, 2004
"In silico" design of new uranyl extractants based on phosphoryl-containing podands: QSPR studies, generation and screening of virtual combinatorial library, and experimental testsA Varnek, D Fourches, V P Solov'ev, et al.Journal of Chemical Information and Computer Sciences|July 27, 2004
Development of QSAR models to predict and interpret the biological activity of artemisinin analoguesRajarshi Guha, Peter C JursJournal of Chemical Information and Computer Sciences|July 27, 2004
Steric trigger as a mechanism for CB1 cannabinoid receptor activationJoong-Youn Shim, Allyn C HowlettPageof 132