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Journal of Chemical Information and Computer Sciences|May 28, 2003
A linear semi-infinite programming strategy for constructing optimal wavelet transforms in multivariate calibration problemsClarimar José Coelho, Roberto K H Galvão, Mário César U de Araújo, et al.Journal of Chemical Information and Computer Sciences|May 28, 2003
VSMP: a novel variable selection and modeling method based on the predictionShu-Shen Liu, Hai-Ling Liu, Chun-Sheng Yin, et al.Journal of Chemical Information and Computer Sciences|May 28, 2003
A wuantitative structure-property relationship study of the glass transition temperature of OLED materialsShiWei Yin, Z Shuai, Yilin WangJournal of Chemical Information and Computer Sciences|May 28, 2003
DiMSim: a discrete-event simulator of metabolic networksXiao-Qin Xia, Michael J WiseJournal of Chemical Information and Computer Sciences|March 26, 2003
Cheminformatics analysis of organic substituents: identification of the most common substituents, calculation of substituent properties, and automatic identification of drug-like bioisosteric groupsPeter ErtlJournal of Chemical Information and Computer Sciences|March 26, 2003
Topological indices based on vertex, edge, ring, and distance: application to various physicochemical properties of diverse hydrocarbonsHua Yuan, Chenzhong CaoJournal of Chemical Information and Computer Sciences|March 26, 2003
Tuning neural and fuzzy-neural networks for toxicity modelingP Mazzatorta, E Benfenati, C-D Neagu, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
Decision forest: combining the predictions of multiple independent decision tree modelsWeida Tong, Huixiao Hong, Hong Fang, et al.Journal of Chemical Information and Computer Sciences|March 26, 2003
Comparison between neural networks (NN) and principal component analysis (PCA): structure activity relationships of 1,4-dihydropyridine calcium channel antagonists (nifedipine analogues)Yuji Takahata, Maria Cristina Andreazza Costa, Anderson Coser GaudioJournal of Chemical Information and Computer Sciences|March 26, 2003
The comparative molecular surface analysis (CoMSA) with modified uniformative variable elimination-PLS (UVE-PLS) method: application to the steroids binding the aromatase enzymeJarosław Polanski, Rafał GieleciakPageof 132