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Journal of Chemical Information and Computer Sciences|May 25, 2004
Spectral pattern recognition using self-organizing MAPSBarry K Lavine, Charles E Davidson, David J WestoverJournal of Chemical Information and Computer Sciences|May 25, 2004
A graph-based genetic algorithm and its application to the multiobjective evolution of median moleculesNathan Brown, Ben McKay, François Gilardoni, et al.Journal of Chemical Information and Computer Sciences|May 25, 2004
Using surrogate modeling in the prediction of fibrinogen adsorption onto polymer surfacesJack R Smith, Doyle Knight, Joachim Kohn, et al.Journal of Chemical Information and Computer Sciences|May 25, 2004
Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structuresJérôme Hert, Peter Willett, David J Wilton, et al.Journal of Chemical Information and Computer Sciences|November 1, 1994
Graph theory and group contributions in the estimation of boiling pointsS Wang, G W Milne, G KlopmanJournal of Chemical Information and Computer Sciences|August 6, 1998
Application of a pruning algorithm to optimize artificial neural networks for pharmaceutical fingerprintingI V Tetko, A E Villa, T I Aksenova, et al.Journal of Chemical Information and Computer Sciences|August 6, 1998
Prediction of human intestinal absorption of drug compounds from molecular structureM D Wessel, P C Jurs, J W Tolan, et al.Journal of Chemical Information and Computer Sciences|August 29, 1998
Molecular quantum similarity measures tuned 3D QSAR: an antitumoral family validation studyL Amat, D Robert, E Besalú, et al.Journal of Chemical Information and Computer Sciences|August 29, 1998
Predictive study by molecular modeling to promote specific probes of glutamate receptors, using methylated cyclic glutamic acid derivatives (trans- and cis-ACPD). Comparison with specific agonistsN Evrard-Todeschi, J Gharbi-Benarous, V Larue, et al.Journal of Chemical Information and Computer Sciences|May 1, 1979
A problem-oriented analysis of database modelsN Thalmann, D ThalmannPageof 132