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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_4/m/print http://hub.abes.fr/acs/periodical/jcics1/2003/volume_43/issue_4/m/web
Date Copyrighted	2003
Rights	Copyright © 2003 American Chemical Society
issue	4
Rights Holder	American Chemical Society
is Is Part Of of	Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versusSeveral Neural Network Ensembles and Some Related Methods Prediction of Molecular Volume and Surface of Alkanes by Molecular Topology Design of Virtual Libraries of Umami-Tasting Molecules JenPep: A Novel Computational Information Resource for Immunobiologyand Vaccinology TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds.Applications to the Design of New Herbicides Neural Networks: Accurate Nonlinear QSAR Model for HEPT Derivatives A Genetic Algorithm Based on Prepotency Evolution Using Chaotic Initiation Used forNetwork Training Molecular Descriptors Influencing Melting Point and Their Role in Classification ofSolid Drugs Atom-Type-Based AI Topological Descriptors: Application in Structure-Boiling PointCorrelations of Oxo Organic Compounds A Stoichiometric Approach to Quantitative Structure−Property Relationships (QSPR) A Graph-Based Toy Model of Chemistry Walking Backward: Walk Counts of Negative Order QSAR Study of Ethyl 2-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-κB Mediated Gene ExpressionBased on Support Vector Machines Quality of Approximate Electron Densities and Internal Consistency of MolecularAlignment Algorithms in Molecular Quantum Similarity Prediction of Henry's Law Constants of Triazine Derived Herbicides from QuantumChemical Continuum Solvation Models Atomic Walk Counts of Negative Order Genetic Algorithm Applied to the Selection of Factors in Principal Component-ArtificialNeural Networks: Application to QSAR Study of Calcium Channel Antagonist Activityof 1,4-Dihydropyridines (Nifedipine Analogous) Quantum Similarity Superposition Algorithm (QSSA): A Consistent Scheme forMolecular Alignment and Molecular Similarity Based on Quantum Chemistry A QSPR Study of the p Solute Polarity Parameter to Estimate Retention in HPLC Molecular Quantum Similarity-Based QSARs forBinding Affinities of Several Steroid Sets J. Chem. Inf.Comput. Sci.42, 1185−1193 (2002) BHB: A Simple Knowledge-Based Scoring Function to Improve the Efficiency ofDatabase Screening Design and Evaluation of a Molecular Fingerprint Involving the Transformation ofProperty Descriptor Values into a Binary Classification Scheme Molecular Quantum Similarity Analysis of Estrogenic Activity Prediction of Cellular Toxicity of Halocarbons from Computed Chemodescriptors: AHierarchical QSAR Approach Transformation of Harmonics for Molecular Calculations Use of Robust Classification Techniques for the Prediction of Human Cytochrome P4502D6 Inhibition Profile Scaling Increases the Similarity Search Performance of Molecular FingerprintsContaining Numerical Descriptors and Structural Keys Receptor-Independent 4D-QSAR Analysis of a Set of Norstatine Derived Inhibitors ofHIV-1 Protease Conformational Sampling by Self-Organization General Combinatorics of RNA Hairpins and Cloverleaves Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using aData Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition

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