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Journal of Chemical Information and Computer Sciences|January 28, 2003
Variable neighborhood search for extremal graphs. 6. Analyzing bounds for the connectivity indexPierre Hansen, Hadrien MélotJournal of Chemical Information and Computer Sciences|January 28, 2003
Application of chemical graph theory for automated mechanism generationArtur Ratkiewicz, Thanh N TruongJournal of Chemical Information and Computer Sciences|January 28, 2003
Luddite: an information-theoretic library design toolJennifer L Miller, Erin K Bradley, Steven L TeigJournal of Chemical Information and Computer Sciences|January 28, 2003
Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): enthalpies of fusion and their application to estimates of enthalpies of sublimation and aqueous solubilitiesSwati Puri, James S Chickos, William J WelshJournal of Chemical Information and Computer Sciences|January 28, 2003
QSAR modeling using chirality descriptors derived from molecular topologyAlexander Golbraikh, Alexander TropshaJournal of Chemical Information and Computer Sciences|January 28, 2003
Finite group theory for large systems. 1. Symmetry-adaptationM L EllzeyJournal of Chemical Information and Computer Sciences|January 28, 2003
Recursive median partitioning for virtual screening of large databasesJeffrey W Godden, John R Furr, Jürgen BajorathJournal of Chemical Information and Computer Sciences|January 28, 2003
QSAR modeling of alpha-campholenic derivatives with sandalwood odorAssia Kovatcheva, Gerhard Buchbauer, Alexander Golbraikh, et al.Journal of Chemical Information and Computer Sciences|January 28, 2003
Consideration of molecular weight during compound selection in virtual target-based database screeningYongping Pan, Niu Huang, Sam Cho, et al.Journal of Chemical Information and Computer Sciences|January 28, 2003
3D-QSAR and receptor modeling of tyrosine kinase inhibitors with flexible atom receptor model (FLARM)Tao Peng, Jianfeng Pei, Jiaju ZhouPageof 132