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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcics1/2003/volume_43
has manifestation of work	http://hub.abes.fr/acs/periodical/jcics1/2003/volume_43/issue_3/m/print http://hub.abes.fr/acs/periodical/jcics1/2003/volume_43/issue_3/m/web
Date Copyrighted	2003
Rights	Copyright © 2003 American Chemical Society
issue	3
Rights Holder	American Chemical Society
is Is Part Of of	Chemical Markup, XML, and the World Wide Web. 4. CML Schema An Approach to Comparative Analysis of Chromatographic Fingerprints for Assuringthe Quality of Botanical Drugs A Linear Semi-infinite Programming Strategy for Constructing Optimal WaveletTransforms in Multivariate Calibration Problems OptDesign: Extending Optimizable k-Dissimilarity Selection to CombinatorialLibrary Design Analysis and Display of the Size Dependence of Chemical Similarity Coefficients Predicting the Genotoxicity of Secondary and Aromatic Amines Using Data SubsettingTo Generate a Model Ensemble Model Carbyne Knots vs Ideal Knots Encoding of Polycyclic Si-Containing Molecules for Determining Species Uniqueness inAutomated Mechanism Generation Finding Multiactivity Substructures by Mining Databases of Drug-Like Compounds Similarity Searching in Databases of Flexible 3D Structures Using Smoothed BoundedDistance Matrices External Factor Variable Connectivity Index Pearson-type I Distribution Function for Polydisperse Polymer Systems. MolarMass Distribution, On Heteroaromaticity of Nucleobases. Bond Lengths as Multidimensional Phenomena Advanced Exact Structure Searching in Large Databases of Chemical Compounds Fuzzy Clustering as a Means of Selecting Representative Conformers andMolecular Alignments Modeling Aqueous Solubility A Survey and New Results on Computer Enumeration of Polyhex andFusene Hydrocarbons Development of Quantitative Structure−Activity Relationships and Classification Modelsfor Anticonvulsant Activity of Hydantoin Analogues A Quantitative Structure−Property Relationship Study of the Glass TransitionTemperature of OLED Materials Predicting pKa by Molecular Tree Structured Fingerprints and PLS Modification of Wiener Index and Its Application DiMSim: A Discrete-Event Simulator of Metabolic Networks The Signature Molecular Descriptor. 2. Enumerating Molecules from Their ExtendedValence Sequences Diagnosing Breast Cancer Based on Support Vector Machines Chemometrical Classification of Ephrin Ligands and Eph Kinases UsingGRID/CPCA Approach ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient byAtom-Additive Approach Based on Atom-Weighted Solvent Accessible Surface Areas Classification of Inhibitors of Protein Tyrosine Phosphatase 1B Using MolecularStructure Based Descriptors Quantitative Structure−Activity Relationships for the Enantioselectivity of OxiraneRing-Opening Catalyzed by Epoxide Hydrolases Text Influenced Molecular Indexing (TIMI): A Literature Database Mining Approachthat Handles Text and Chemistry Matching 2D Gel Electrophoresis Images Microbial Pathway Prediction: A Functional Group Approach A Catalogue of Isomerization Transformations of Fullerene Polyhedra IUCLID: An Information Management Tool for Existing Chemicals and Biocides The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSARand QSPR Studies Prediction of Aqueous Solubility and Partition Coefficient Optimized by a GeneticAlgorithm Based Descriptor Selection Method VSMP: A Novel Variable Selection and Modeling Method Based on the Prediction Molecular Shape Diversity of Combinatorial Libraries: A Prerequisite forBroad Bioactivity A 3D QSAR Study on a Set of Dopamine D4 Receptor Antagonists Use of Recursion Forests in the Sequential Screening Process: Consensus Selection byMultiple Recursion Trees

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