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Journal of Chemical Information and Computer Sciences|March 23, 2004
Classification and regression trees--studies of HIV reverse transcriptase inhibitorsM Daszykowski, B Walczak, Q-S Xu, et al.Journal of Chemical Information and Computer Sciences|March 23, 2004
A universal molecular descriptor system for prediction of logP, logS, logBB, and absorptionHongmao SunJournal of Chemical Information and Computer Sciences|May 25, 2004
Virtual screening using protein-ligand docking: avoiding artificial enrichmentMarcel L Verdonk, Valerio Berdini, Michael J Hartshorn, et al.Journal of Chemical Information and Computer Sciences|May 25, 2004
Statistically based reduced representation of amino acid side chainsJan K Rainey, M Cynthia GohJournal of Chemical Information and Computer Sciences|May 25, 2004
SURFCOMP: a novel graph-based approach to molecular surface comparisonChristian Hofbauer, Hans Lohninger, András AszódiJournal of Chemical Information and Computer Sciences|May 25, 2004
Theoretical prediction of partition coefficients via molecular electrostatic and electronic propertiesOlivier Lamarche, James A Platts, Anne HerseyJournal of Chemical Information and Computer Sciences|May 25, 2004
Assessment of docking poses: interactions-based accuracy classification (IBAC) versus crystal structure deviationsRomano T Kroemer, Anna Vulpetti, Joseph J McDonald, et al.Journal of Chemical Information and Computer Sciences|May 25, 2004
Ab initio vs molecular mechanics thermochemistry: homocubanesIgor NovakJournal of Chemical Information and Computer Sciences|May 25, 2004
Continuous wavelet transform applied to removing the fluctuating background in near-infrared spectraChaoxiong Ma, Xueguang ShaoJournal of Chemical Information and Computer Sciences|May 25, 2004
Prediction of the formulation dependence of the glass transition temperatures of amine-epoxy copolymers using a QSPR based on the AM1 methodJason A Morrill, Robert E Jensen, Phillip H Madison, et al.Pageof 132