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Journal of Chemical Information and Computer Sciences|February 22, 2002
Computing wiener-type indices for virtual combinatorial libraries generated from heteroatom-containing building blocksOvidiu Ivanciuc, Douglas J KleinJournal of Chemical Information and Computer Sciences|February 22, 2002
An alignment-independent versatile structure descriptor for QSAR and QSPR based on the distribution of molecular featuresKnut BaumannJournal of Chemical Information and Computer Sciences|February 22, 2002
Rapid evaluation of molecular shape similarity index using pairwise calculation of the nearest atomic distancesTakayuki Kotani, Kunihiko HigashiuraJournal of Chemical Information and Computer Sciences|May 1, 1991
Clustering a large number of compounds. 2. Using the Connection MachineR Whaley, L HodesJournal of Chemical Information and Computer Sciences|August 1, 1991
An integrated approach to three-dimensional information management with MACCS-3DO F Güner, D W Hughes, L M DumontJournal of Chemical Information and Computer Sciences|February 1, 1991
A computerized metabolic mapR S Ochs, K ConrowJournal of Chemical Information and Computer Sciences|November 25, 2003
Computing a new family of shape descriptors for protein structuresPeter Røgen, Robert SinclairJournal of Chemical Information and Computer Sciences|November 25, 2003
Mining biological data using self-organizing mapZheng Rong Yang, Kuo-Chen ChouJournal of Chemical Information and Computer Sciences|November 25, 2003
FLUFF-BALL, a template-based grid-independent superposition and QSAR technique: validation using a benchmark steroid data setSamuli-Petrus Korhonen, Kari Tuppurainen, Reino Laatikainen, et al.Journal of Chemical Information and Computer Sciences|November 25, 2003
Determination of McGowan volumes for ions and correlation with van der Waals volumesYuan H Zhao, Michael H Abraham, Andreas M ZissimosPageof 132