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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcics1/2004/volume_44
has manifestation of work	http://hub.abes.fr/acs/periodical/jcics1/2004/volume_44/issue_1/m/print http://hub.abes.fr/acs/periodical/jcics1/2004/volume_44/issue_1/m/web
Date Copyrighted	2004
Rights	Copyright © 2004 American Chemical Society
issue	1
Rights Holder	American Chemical Society
is Is Part Of of	Molecular Similarity Searching Using Atom Environments, Information-Based FeatureSelection, and a Naïve Bayesian Classifier The Problem of Overfitting Chirality of the Disulfide in the Prion Proteins Boiling Points of Halogenated Aliphatic Compounds: A QuantitativeStructure−Property Relationship for Prediction and Validation Web-Based Tools for Mining the NCI Databases for Anticancer Drug Discovery Eigenvalue Analysis of Peroxisome Proliferator-Activated Receptor γ Agonists Partitioning of π-Electrons in Rings of Polycyclic Benzenoid Hydrocarbons. 2.Catacondensed Coronoids Efficient Discovery of Nonlinear Dependencies in a Combinatorial Catalyst Data Set QSAR in Ecotoxicity: An Overview of Modern Classification Techniques Topological Distance Based 3D Descriptors for Use in QSAR and Diversity Analysis An Open Source Protein Gel Documentation System for Proteome Analyses Topology, Connectivity, and Electronic Structure of C and B Cages and theCorresponding Nanotubes Prediction of the Isoelectric Point of an Amino Acid Based on GA-PLS and SVMs Aqueous Biphasic Systems. Partitioning of Organic Molecules: A QSPR Treatment A 3D-QSAR of Angiotensin II (AT1) Receptor Antagonists Based on ReceptorSurface Analysis Implementing the Fisher's Discriminant Ratio in a k-Means Clustering Algorithm forFeature Selection and Data Set Trimming Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positionsin Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality Encoding the Core Electrons with Graph Concepts 2D QSAR Consensus Prediction for High-Throughput Virtual Screening. An Applicationto COX-2 Inhibition Modeling and Screening of the NCI Database ADME Evaluation in Drug Discovery. 4. Prediction of Aqueous Solubility Based onAtom Contribution Approach QSAR Analysis of the Toxicity of Aromatic Compounds to Chlorella vulgaris in a NovelShort-Term Assay Table of Periodic Properties of Fullerenes Based on Structural Parameters Parallel Random Tunneling Algorithm for Structural Optimization of Lennard-JonesClusters up to N = 330 Development of a Quantitative Structure−Activity Relationship Model for Inhibition ofGram-positive Bacterial Cell Growth by Biarylamides Kekulé Count in Capped Zigzag Boron-Nitride Nanotubes Development of Neural Network QSPR Models for Hansch Substituent Constants. 1.Method and Validations Use of Variable Selection in Modeling the Secondary Structural Content of Proteinsfrom Their Composition of Amino Acid Residues Step-by-Step Calculation of All Maximum Common Substructures through a ConstraintSatisfaction Based Algorithm QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of CorrelationWeights of Local Graph Invariants Development of Neural Network QSPR Models for Hansch Substituent Constants. 2.Applications in QSAR Studies of HIV-1 Reverse Transcriptase and DihydrofolateReductase Inhibitors CoMFA Modeling of Human Catechol O-Methyltransferase Enzyme Kinetics Blood-Brain Barrier Permeation Models: Discriminating between Potential CNS andNon-CNS Drugs Including P-Glycoprotein Substrates Identification of a Minimal Subset of Receptor Conformations for Improved MultipleConformation Docking and Two-Step Scoring Topological Study of the Periodic System

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