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Journal of Chemical Information and Computer Sciences|November 26, 2002
Data mining for seeking an accurate quantitative relationship between molecular structure and GC retention indices of alkenes by projection pursuitYiping Du, Yizeng Liang, Dong YunJournal of Chemical Information and Computer Sciences|November 26, 2002
CKB - the compound knowledge base: a text based chemical search systemMatthew J Walker, Richard D Hull, Suresh B SinghJournal of Chemical Information and Computer Sciences|November 26, 2002
Over 20 years of reaction access systems from MDL: a novel reaction substructure search algorithmLingran Chen, James G Nourse, Bradley D Christie, et al.Journal of Chemical Information and Computer Sciences|November 26, 2002
Property-based design of GPCR-targeted libraryKonstantin V Balakin, Sergey E Tkachenko, Stanley A Lang, et al.Journal of Chemical Information and Computer Sciences|November 26, 2002
Prediction of protein retention times in anion-exchange chromatography systems using support vector regressionMinghu Song, Curt M Breneman, Jinbo Bi, et al.Journal of Chemical Information and Computer Sciences|November 26, 2002
QCODES - fast topological descriptors for macromoleculesEdgardo GarciaJournal of Chemical Information and Computer Sciences|November 26, 2002
Cyclical conjunction: an efficient operator for the extraction of cycles from a graphGonzalo Cerruela García, Irene Luque Ruiz, Miguel Angel Gómez-NietoJournal of Chemical Information and Computer Sciences|November 26, 2002
Identifying relevant molecular descriptors related to carcinogenic activity of polycyclic aromatic hydrocarbons (PAHs) using pattern recognition methodsV R Coluci, R Vendrame, R S Braga, et al.Journal of Chemical Information and Computer Sciences|November 26, 2002
Classification of some active HIV-1 protease inhibitors and their inactive analogues using some uncorrelated three-dimensional molecular descriptors and a fuzzy c-means algorithmThy-Hou Lin, Ging-Ming Wang, Yao-Hua HsuJournal of Chemical Information and Computer Sciences|July 23, 2002
Comparative molecular field analysis (CoMFA) of anionic azo dye-fiber affinities I: gas-phase molecular orbital descriptorsSimona Funar-Timofei, Gerrit SchüürmannPageof 132