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Journal of Chemical Information and Computer Sciences|March 26, 2002
A web-based 3D-database pharmacophore searching tool for drug discoveryXueliang Fang, Shaomeng WangJournal of Chemical Information and Computer Sciences|March 26, 2002
MECHGEN: computer aided generation and reduction of reaction mechanismsAndrás Németh, Tamás Vidóczy, Károly Héberger, et al.Journal of Chemical Information and Computer Sciences|March 26, 2002
Validation of structural proposals by substructure analysis and 13C NMR chemical shift predictionJens Meiler, Erdogan Sanli, Jochen Junker, et al.Journal of Chemical Information and Computer Sciences|March 26, 2002
New diversity calculations algorithms used for compound selectionSergei V Trepalin, Vadim A Gerasimenko, Andrey V Kozyukov, et al.Journal of Chemical Information and Computer Sciences|March 26, 2002
Using molecular quantum similarity measures under stochastic transformation to describe physical properties of molecular systemsXavier Gironés, Ramon Carbó-DorcaJournal of Chemical Information and Computer Sciences|March 26, 2002
Predicting Caco-2 cell permeation coefficients of organic molecules using membrane-interaction QSAR analysisAmit Kulkarni, Yi Han, A J HopfingerJournal of Chemical Information and Computer Sciences|March 26, 2002
Combinatorial library design using a multiobjective genetic algorithmValerie J Gillet, Wael Khatib, Peter Willett, et al.Journal of Chemical Information and Computer Sciences|March 26, 2002
Chemical library subset selection algorithms: a unified derivation using spatial statisticsFred A Hamprecht, Walter Thiel, Wilfred F van GunsterenJournal of Chemical Information and Computer Sciences|February 1, 1987
Chemical information science coverage in Chemical AbstractsG WigginsJournal of Chemical Information and Computer Sciences|February 1, 1987
Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactionsA K Ghose, G M CrippenPageof 132