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Journal of Chemical Information and Computer Sciences|June 13, 2000
Comparison of weighting schemes for molecular graph descriptors: application in quantitative structure-retention relationship models for alkylphenols in gas-liquid chromatographyIvanciuc, Ivanciuc, Cabrol-Bass, et al.Journal of Chemical Information and Computer Sciences|June 13, 2000
Prediction of inhibition of the sodium ion-proton antiporter by benzoylguanidine derivatives from molecular structureG W Kauffman, P C JursJournal of Chemical Information and Computer Sciences|June 13, 2000
Intermolecular accessibility: the meaning of molecular connectivityKier, HallJournal of Chemical Information and Computer Sciences|June 13, 2000
Molecular descriptors for effective classification of biologically active compounds based on principal component analysis identified by a genetic algorithmL Xue, J BajorathJournal of Chemical Information and Computer Sciences|June 13, 2000
Modeling of ion complexation and extraction using substructural molecular fragmentsSolov'ev, Varnek, WipffJournal of Chemical Information and Computer Sciences|February 24, 2001
High-throughput prediction of blood-brain partitioning: a thermodynamic approachG M Keserü, L MolnárJournal of Chemical Information and Computer Sciences|February 24, 2001
Determining the number of resonance structures in concealed non-Kekuléan benzenoid hydrocarbonsJ R Dias, G C CashJournal of Chemical Information and Computer Sciences|February 24, 2001
Results of a new classification algorithm combining K nearest neighbors and recursive partitioningD W MillerJournal of Chemical Information and Computer Sciences|February 24, 2001
Algorithm for naming molecular equivalence classes represented by labeled pseudographsY Xu, M JohnsonJournal of Chemical Information and Computer Sciences|February 24, 2001
Use of 13C NMR spectrometric data to produce a predictive model of estrogen receptor binding activityR D Beger, J P Freeman, J O Lay, et al.Pageof 132