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Journal of Chemical Information and Computer Sciences|January 27, 2004
Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoringSukjoon Yoon, William J WelshJournal of Chemical Information and Computer Sciences|January 27, 2004
Use of variable selection in modeling the secondary structural content of proteins from their composition of amino acid residuesTeuta Pilizota, Bono Lucić, Nenad TrinajstićJournal of Chemical Information and Computer Sciences|January 27, 2004
Topology, connectivity, and electronic structure of C and B cages and the corresponding nanotubesF E Leys, C Amovilli, N H MarchJournal of Chemical Information and Computer Sciences|January 27, 2004
Aqueous biphasic systems. Partitioning of organic molecules: a QSPR treatmentAlan R Katritzky, Kaido Tämm, Minati Kuanar, et al.Journal of Chemical Information and Computer Sciences|January 27, 2004
Development of neural network QSPR models for Hansch substituent constants. 1. Method and validationsTing-Lan Chiu, Sung-Sau SoJournal of Chemical Information and Computer Sciences|January 27, 2004
Development of neural network QSPR models for Hansch substituent constants. 2. Applications in QSAR studies of HIV-1 reverse transcriptase and dihydrofolate reductase inhibitorsTing-Lan Chiu, Sung-Sau SoJournal of Chemical Information and Computer Sciences|January 27, 2004
QSPR modeling of lipid-water partition coefficient by optimization of correlation weights of local graph invariantsAndrey A Toropov, Kunal RoyJournal of Chemical Information and Computer Sciences|January 27, 2004
Eigenvalue analysis of peroxisome proliferator-activated receptor gamma agonistsChenzhong Liao, Aihua Xie, Leming Shi, et al.Journal of Chemical Information and Computer Sciences|January 27, 2004
ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approachT J Hou, K Xia, W Zhang, et al.Journal of Chemical Information and Computer Sciences|March 23, 2004
Chemical reactivity as a tool to study carcinogenicity: reaction between estradiol and estrone 3,4-quinones ultimate carcinogens and guaninePh Huetz, E E Kamarulzaman, H A Wahab, et al.Pageof 132