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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45
has manifestation of work	http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45/issue_4/m/print http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45/issue_4/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	4
Rights Holder	American Chemical Society
is Is Part Of of	Prediction of UV and ESI−MS Signal Intensities Lead Hopping Using SVM and 3D Pharmacophore Fingerprints Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior ofSelected Scoring Functions Application of the Random Forest Method in Studies of Local Lymph Node Assay BasedSkin Sensitization Data Nanoporous Carbon Allotropes by Septupling Map Operations Model Carbyne vs Ideal and DNA Catenanes An Analytical, Variable Resolution, Complete Description of Static Molecules and TheirIntermolecular Binding Properties Computational and Conformational Evaluation of FTase Alternative Substrates: Insightinto a Novel Enzyme Binding Pocket Adaptive Multicomponent Analysis by Genetic Algorithms Graph Kernels for Molecular Structure−Activity Relationship Analysis with SupportVector Machines Ligand-Based Virtual Screening and in Silico Design of New Antimalarial CompoundsUsing Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps Improved FlexX Docking Using FlexS-Determined Base Fragment Placement Stability Studies of Transition-Metal Linkage Isomers Using Quantum MechanicalMethods. Groups 11 and 12 Transition Metals Interpreting Computational Neural Network Quantitative Structure−ActivityRelationship Models: A Detailed Interpretation of the Weights and Biases Quantum Mechanical Structure−Activity Relationship Analyses for Skin Sensitization A Searching and Reporting System for Relational Databases Using a Graph-BasedMetadata Representation Stability and Properties of Polyhelicenes and Annelated Fused-Ring Carbon Helices: Models Toward Helical Graphites Genetic Programming for the Induction of Decision Trees to Model Ecotoxicity Data A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D QuantitativeStructure−Selectivity Relationships Enhanced Virtual Screening by Combined Use of Two Docking Methods: Getting theMost on a Limited Budget A Hierarchical Clustering Approach for Large Compound Libraries Improving the Quantification of Highly Overlapping Chromatographic Peaks by UsingProduct Unit Neural Networks Modeled by an Evolutionary Algorithm Surface-Integral QSPR Models: Local Energy Properties Consensus Scoring Criteria for Improving Enrichment in Virtual Screening ThermoData Engine (TDE): Software Implementation of the Dynamic Data EvaluationConcept A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of theSolubilities of Diverse Solutes in Diverse Solvents Predicting the Phosphorylation Sites Using Hidden Markov Models and MachineLearning Methods A Virtual Screening Approach for Thymidine Monophosphate Kinase Inhibitors asAntitubercular Agents Based on Docking and Pharmacophore Models Molecular Modeling Studies Focused on 5-HT7 versus 5-HT1A Selectivity. Discovery ofNovel Phenylpyrrole Derivatives with High Affinity for 5-HT7 Receptors Prediction of Cytochrome P450 3A4, 2D6, and 2C9 Inhibitors and Substrates by UsingSupport Vector Machines Modified Ant Colony Optimization Algorithm for Variable Selection in QSARModeling: QSAR Studies of Cyclooxygenase Inhibitors “In-House Likeness”: Comparison of Large Compound Collections Using ArtificialNeural Networks Modeling the Octanol−Water Partition Coefficients by an Optimized MolecularConnectivity Index A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models Posetic Quantitative Superstructure/Activity Relationships (QSSARs) forChlorobenzenes

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