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Journal of Chemical Information and Computer Sciences|March 23, 2004
Prediction of transmembrane proteins based on the continuous wavelet transformJianding Qiu, Ruping Liang, Xiaoyong Zou, et al.Journal of Chemical Information and Computer Sciences|November 24, 2004
Combining unsupervised and supervised artificial neural networks to predictaquatic toxicityGiuseppina Gini, Marian Viorel Craciun, Christoph König, et al.Journal of Chemical Information and Computer Sciences|November 24, 2004
Similarity to molecules in the training set is a good discriminator for prediction accuracy in QSARRobert P Sheridan, Bradley P Feuston, Vladimir N Maiorov, et al.Journal of Chemical Information and Computer Sciences|November 24, 2004
Linear indices of the "molecular pseudograph's atom adjacency matrix": definition, significance-interpretation, and application to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitorsYovani Marrero-PonceJournal of Chemical Information and Computer Sciences|November 24, 2004
Diagnosing anorexia based on partial least squares, back propagation neural network, and support vector machinesC Y Zhao, R S Zhang, H X Liu, et al.Journal of Chemical Information and Computer Sciences|November 24, 2004
An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexesRenxiao Wang, Yipin Lu, Xueliang Fang, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
Oriented 2-cell embeddings of a graph and their symmetry classification: generating algorithms and case study of the möbius-kantor graphE Lijnen, A CeulemansJournal of Chemical Information and Computer Sciences|September 28, 2004
Heuristic extraction of rules in pruned artificial neural networks models used for quantifying highly overlapping chromatographic peaksCésar Hervás, Manuel Silva, Juan Manuel Serrano, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
Manual construction and mathematics- and computer-aided counting of stereoisomers. The example of oligoinositolsChristoph Rücker, Ralf Gugisch, Adalbert KerberJournal of Chemical Information and Computer Sciences|September 28, 2004
Evaluation of mutual information and genetic programming for feature selection in QSARVishwesh Venkatraman, Andrew Rowland Dalby, Zheng Rong YangPageof 132