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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41
has manifestation of work	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_6/m/print http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_6/m/web
Date Copyrighted	2001
Rights	Copyright © 2001 American Chemical Society
issue	6
Rights Holder	American Chemical Society
is Is Part Of of	Publication Speed in Analytical Chemistry Journals Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra UsingGenetic Algorithms and Neural Networks Comparison of Two Methods for Predicting Aqueous Solubility A Novel Frequency Distribution Selection Method for Efficient Plate Layout of aDiverse Combinatorial Library Diversity and Coverage of Structural Sublibraries Selected Using the SAGE and SCAAlgorithms On the Choice of Optimal Methodology for Calculation of 13C and 1H NMR IsotropicChemical Shifts in Cagelike Systems. Case Studies of Adamantane, 2-Adamantanone,and 2,4-Methano-2,4-dehydroadamantane Evaluation of a 1H-13C NMR Spectral Library 4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling The Relationship between the Sequence Identities of Alpha Helical Proteins in the PDBand the Molecular Similarities of Their Ligands Simulated Infrared Spectra of Ho(III) and Gd(III) Chlorides and CarboxylateComplexes Using Effective Core Potentials in GAMESS Development of Quantitative Structure−Property Relationship Models for Early ADMEEvaluation in Drug Discovery. 2. Blood-Brain Barrier Penetration The Publication Speed of Information in Bibliographic Chemical Databases A Topological Account of Chirality QSPR Analysis of Flash Points Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices Three-Dimensional Quantitative Structure-Permeability Relationship Analysis for aSeries of Inhibitors of Rhinovirus Replication Search for Predictive Generic Model of Aqueous Solubility Using Bayesian Neural Nets SENECA: A Platform-Independent, Distributed, and Parallel System forComputer-Assisted Structure Elucidation in Organic Chemistry Eigen Value Analysis of HIV-1 Integrase Inhibitors Modular Chemical Descriptor Language (MCDL): Composition, Connectivity, andSupplementary Modules Combination of 2D-, 3D-Connectivity and Quantum Chemical Descriptors in QSPR.Complexation of α- and β-Cyclodextrin with Benzene Derivatives Substructure, Subgraph, and Walk Counts as Measures of the Complexity of Graphsand Molecules QSAR and k-Nearest Neighbor Classification Analysis of Selective Cyclooxygenase-2Inhibitors Using Topologically-Based Numerical Descriptors Development of Quantitative Structure−Property Relationship Models for Early ADMEEvaluation in Drug Discovery. 1. Aqueous Solubility A New Graph Descriptor for Molecules Containing Cycles. Application as ScreeningCriterion for Searching Molecular Structures within Large Databases of OrganicCompounds

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