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Journal of Chemical Information and Computer Sciences|March 26, 2003
A wavelet, fourier, and PCA data analysis pipeline: application to distinguishing mixtures of liquidsMünevver Köküer, Fionn Murtagh, Norman D McMillan, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
A QSAR model of PAHs carcinogenesis based on thermodynamic stabilities of biactive sitesZhigang Zhou, Qianhuan Dai, Tong GuJournal of Chemical Information and Computer Sciences|March 26, 2003
Validation of DAPPER for 3D QSAR: conformational search and chirality metricScott A Wildman, Gordon M CrippenJournal of Chemical Information and Computer Sciences|March 26, 2003
Pharmacophore modeling as an efficient tool in the discovery of novel noncompetitive AMPA receptor antagonistsMaria Letizia Barreca, Rosaria Gitto, Silvana Quartarone, et al.Journal of Chemical Information and Computer Sciences|October 16, 2002
Orthogonalization of block variables by subspace-projection for quantitative structure property relationship (QSPR) researchYiping Du, Yizeng Liang, Boyan Li, et al.Journal of Chemical Information and Computer Sciences|October 16, 2002
Approaches to understanding the searching behavior of CrossFire usersFrank Cooke, Nikolai Kopelev, Helen Schofield, et al.Journal of Chemical Information and Computer Sciences|October 16, 2002
Prediction of glycine/NMDA receptor antagonist inhibition from molecular structureS J Patankar, P C JursJournal of Chemical Information and Computer Sciences|October 16, 2002
Global optimization of Lennard-Jones clusters by a parallel fast annealing evolutionary algorithmWensheng Cai, Haiyan Jiang, Xueguang ShaoJournal of Chemical Information and Computer Sciences|October 16, 2002
Fragmental approach in QSPRNikolai S Zefirov, Vladimir A PalyulinJournal of Chemical Information and Computer Sciences|October 16, 2002
Polarizabilities of solvents from the chemical compositionRamón Bosque, Joaquim SalesPageof 132