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Journal of Chemical Information and Computer Sciences|March 26, 2003
Modeling toxicity by using supervised kohonen neural networksPaolo Mazzatorta, Marjan Vracko, Aneta Jezierska, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
The geometric structure of deformed nanotubes and the topological coordinatesIstván László, André RassatJournal of Chemical Information and Computer Sciences|March 26, 2003
Quantum-mechanical QSAR/QSPR descriptors from momentum-space wave functionsErrol F McCoy, Matthew J SykesJournal of Chemical Information and Computer Sciences|March 26, 2003
A chemical class-based approach to predictive model generationDavid W MillerJournal of Chemical Information and Computer Sciences|March 26, 2003
Assessing model fit by cross-validationDouglas M Hawkins, Subhash C Basak, Denise MillsJournal of Chemical Information and Computer Sciences|March 26, 2003
A QSPR study of O-H bond dissociation energy in phenolsRamón Bosque, Joaquim SalesJournal of Chemical Information and Computer Sciences|March 26, 2003
Neighborhood behavior of in silico structural spaces with respect to in vitro activity spaces-a novel understanding of the molecular similarity principle in the context of multiple receptor binding profilesDragos Horvath, Catherine JeandenansJournal of Chemical Information and Computer Sciences|October 16, 2002
A DNA algorithm for the graph coloring problemWenbin Liu, Fengyue Zhang, Jin XuJournal of Chemical Information and Computer Sciences|October 16, 2002
The importance of scaling in data mining for toxicity predictionPaolo Mazzatorta, Emilio Benfenati, Daniel Neagu, et al.Journal of Chemical Information and Computer Sciences|November 26, 2002
The chemical inventory system of the center for heterocyclic compounds, University of FloridaAlan R Katritzky, Ruslan Petrukhin, Douglas Tatham, et al.Pageof 132