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Journal of Chemical Information and Computer Sciences|June 28, 2002
Structure/response correlations and similarity/diversity analysis by GETAWAY descriptors. 1. Theory of the novel 3D molecular descriptorsViviana Consonni, Roberto Todeschini, Manuela PavanJournal of Chemical Information and Computer Sciences|June 28, 2002
A cellular automata model of water structuring by a chiral soluteBernard Testa, Lemont B Kier, Chao-Kun ChengJournal of Chemical Information and Computer Sciences|July 23, 2003
Atomic walk counts of negative orderIstván Lukovits, Nenad TrinajstićJournal of Chemical Information and Computer Sciences|July 23, 2003
Quantum similarity superposition algorithm (QSSA): a consistent scheme for molecular alignment and molecular similarity based on quantum chemistryPatrick Bultinck, Tom Kuppens, Xavier Gironés, et al.Journal of Chemical Information and Computer Sciences|July 23, 2003
Conformational sampling by self-organizationHuafeng Xu, Sergei Izrailev, Dimitris K AgrafiotisJournal of Chemical Information and Computer Sciences|July 23, 2003
TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new herbicidesMaykel Pérez González, Humberto Gonzalez Díaz, Reinaldo Molina Ruiz, et al.Journal of Chemical Information and Computer Sciences|July 23, 2003
Use of robust classification techniques for the prediction of human cytochrome P450 2D6 inhibitionRoberta G Susnow, Steven L DixonJournal of Chemical Information and Computer Sciences|July 23, 2003
BHB: a simple knowledge-based scoring function to improve the efficiency of database screeningMiklos Feher, Eugen Deretey, Samir RoyJournal of Chemical Information and Computer Sciences|July 23, 2003
A genetic algorithm based on prepotency evolution using chaotic initiation used for network trainingQing-zhang Lü, Jian-hui Jiang, Ru-qin Yu, et al.Journal of Chemical Information and Computer Sciences|July 23, 2003
Profile scaling increases the similarity search performance of molecular fingerprints containing numerical descriptors and structural keysLing Xue, Jeffrey W Godden, Florence L Stahura, et al.Pageof 132