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Journal of Chemical Information and Computer Sciences|November 25, 2003
ADME evaluation in drug discovery. 3. Modeling blood-brain barrier partitioning using simple molecular descriptorsT J Hou, X J XuJournal of Chemical Information and Computer Sciences|November 25, 2003
A simple clustering technique to improve QSAR model selection and predictivity: application to a receptor independent 4D-QSAR analysis of cyclic urea derived inhibitors of HIV-1 proteaseCraig L Senese, A J HopfingerJournal of Chemical Information and Computer Sciences|May 25, 2004
De novo generation of molecular structures using optimization to select graphs on a given latticeRobert P Bywater, Thomas A Poulsen, Peter Røgen, et al.Journal of Chemical Information and Computer Sciences|May 25, 2004
Induction of decision trees via evolutionary programmingRobert Kirk DeLisle, Steven L DixonJournal of Chemical Information and Computer Sciences|May 25, 2004
Clustering files of chemical structures using the fuzzy k-means clustering methodJohn D Holliday, Sarah L Rodgers, Peter Willett, et al.Journal of Chemical Information and Computer Sciences|May 25, 2004
Feature selection for descriptor based classification models. 2. Human intestinal absorption (HIA)Jörg K Wegner, Holger Fröhlich, Andreas ZellJournal of Chemical Information and Computer Sciences|May 25, 2004
Study of the quantitative structure-mobility relationship of carboxylic acids in capillary electrophoresis based on support vector machinesC X Xue, R S Zhang, M C Liu, et al.Journal of Chemical Information and Computer Sciences|May 25, 2004
Process-driven information management system at a biotech company: concept and implementationAlberto Gobbi, Sandra Funeriu, John Ioannou, et al.Journal of Chemical Information and Computer Sciences|May 25, 2004
Predictive models for aquatic toxicity of aldehydes designed for various model chemistriesMartin Smiesko, Emilio BenfenatiJournal of Chemical Information and Computer Sciences|May 25, 2004
Development and use of hydrophobic surface area (HSA) descriptors for computer-assisted quantitative structure-activity and structure-property relationship studiesDavid T Stanton, Brian E Mattioni, James J Knittel, et al.Pageof 132