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Journal of Chemical Information and Computer Sciences|January 27, 2004
Molecular similarity searching using atom environments, information-based feature selection, and a naïve Bayesian classifierAndreas Bender, Hamse Y Mussa, Robert C Glen, et al.Journal of Chemical Information and Computer Sciences|November 1, 1992
Visualizing relative occurrences in metabolic transformations of xenobiotics using structure-activity mapsE M Gifford, M A Johnson, D G Kaiser, et al.Journal of Chemical Information and Computer Sciences|January 27, 2004
CoMFA modeling of human catechol O-methyltransferase enzyme kineticsJulius Sipilä, Jyrki TaskinenJournal of Chemical Information and Computer Sciences|January 27, 2004
Boiling points of halogenated aliphatic compounds: a quantitative structure-property relationship for prediction and validationTomas ObergJournal of Chemical Information and Computer Sciences|January 27, 2004
2D QSAR consensus prediction for high-throughput virtual screening. An application to COX-2 inhibition modeling and screening of the NCI databaseNicolas Baurin, Jean-Christophe Mozziconacci, Eric Arnoult, et al.Journal of Chemical Information and Computer Sciences|January 27, 2004
Chirality of the disulfide in the prion proteinsMarvin CarmackJournal of Chemical Information and Computer Sciences|November 1, 1992
Similarity searching in databases of three-dimensional molecules and macromoleculesP J Artymiuk, P A Bath, H M Grindley, et al.Journal of Chemical Information and Computer Sciences|March 23, 2004
Algebraic Kekulé structures of benzenoid hydrocarbonsIvan Gutman, Damir Vukicević, Ante Graovac, et al.Journal of Chemical Information and Computer Sciences|March 23, 2004
Classification of potential endocrine disrupters on the basis of molecular structure using a nonlinear modeling methodAlessandra Roncaglioni, Marjana Novic, Marjan Vracko, et al.Journal of Chemical Information and Computer Sciences|March 23, 2004
Wiener-Hosoya index--a novel graph theoretical molecular descriptorMilan RandićPageof 132