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Journal of Chemical Information and Computer Sciences|July 1, 1996
QSAR analysis of indole analogues as monoamine oxidase inhibitorsA E Medvedev, A S Ivanov, A V Veselovsky, et al.Journal of Chemical Information and Computer Sciences|July 1, 1996
Molecular modeling in the discovery of drug leadsG W Milne, S Wang, M C NicklausJournal of Chemical Information and Computer Sciences|July 1, 1996
Molecular diversity in chemical databases: comparison of medicinal chemistry knowledge bases and databases of commercially available compoundsD J Cummins, C W Andrews, J A Bentley, et al.Journal of Chemical Information and Computer Sciences|July 23, 2003
A graph-based toy model of chemistryGil Benkö, Christoph Flamm, Peter F StadlerJournal of Chemical Information and Computer Sciences|July 23, 2003
Toward generating simpler QSAR models: nonlinear multivariate regression versus several neural network ensembles and some related methodsBono Lucić, Damir Nadramija, Ivan Basic, et al.Journal of Chemical Information and Computer Sciences|July 23, 2003
Design and evaluation of a molecular fingerprint involving the transformation of property descriptor values into a binary classification schemeLing Xue, Jeffrey W Godden, Florence L Stahura, et al.Journal of Chemical Information and Computer Sciences|July 23, 2003
Quality of approximate electron densities and internal consistency of molecular alignment algorithms in molecular quantum similarityPatrick Bultinck, Ramon Carbó-Dorca, Christian Van AlsenoyJournal of Chemical Information and Computer Sciences|July 23, 2003
Prediction of molecular volume and surface of alkanes by molecular topologyJorge GalvezJournal of Chemical Information and Computer Sciences|July 23, 2003
Development of a method for evaluating drug-likeness and ease of synthesis using a data set in which compounds are assigned scores based on chemists' intuitionYuji Takaoka, Yutaka Endo, Susumu Yamanobe, et al.Journal of Chemical Information and Computer Sciences|July 23, 2003
JenPep: a novel computational information resource for immunobiology and vaccinologyHelen McSparron, Martin J Blythe, Christianna Zygouri, et al.Pageof 132