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Journal of Chemical Information and Computer Sciences|January 28, 2003
DISE: directed sphere exclusionAlberto Gobbi, Man-Ling LeeJournal of Chemical Information and Computer Sciences|October 16, 2002
Use of catalyst pharmacophore models for screening of large combinatorial librariesEvan A Hecker, Chaya Duraiswami, Tariq A Andrea, et al.Journal of Chemical Information and Computer Sciences|October 16, 2002
A novel shape-feature based approach to virtual library screeningSantosh Putta, Christian Lemmen, Paul Beroza, et al.Journal of Chemical Information and Computer Sciences|May 1, 1976
On-line information systems in perspectiveS ArtandiJournal of Chemical Information and Computer Sciences|March 26, 2003
Searching for patterns of amino acids in 3D protein structuresRuth V Spriggs, Peter J Artymiuk, Peter WillettJournal of Chemical Information and Computer Sciences|March 26, 2003
Fast calculation of quantum chemical molecular descriptors from the electronegativity equalization methodPatrick Bultinck, Wilfried Langenaeker, Ramon Carbó-Dorca, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
Prediction of aqueous solubility of organic compounds based on a 3D structure representationAixia Yan, Johann GasteigerJournal of Chemical Information and Computer Sciences|March 26, 2003
Evaluation of similarity measures for searching the dictionary of natural products databaseMartin Whittle, Peter Willett, Werner Klaffke, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
Efficient generation, storage, and manipulation of fully flexible pharmacophore multiplets and their use in 3-D similarity searchingEdmond Abrahamian, Peter C Fox, Lars Naerum, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
Comparison of ranking methods for virtual screening in lead-discovery programsDavid Wilton, Peter Willett, Kevin Lawson, et al.Pageof 132