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Attributs	Valeurs
type	work Journal
Title	Journal of Chemical Information and Modeling
bibo:shortTitle	J. Chem. Inf. Model. J. Chem. Inf. Modeling
has manifestation of work	http://hub.abes.fr/acs/periodical/jcisd8/m/print http://hub.abes.fr/acs/periodical/jcisd8/m/web
is Is Part Of of	http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45 http://hub.abes.fr/acs/periodical/jcisd8/2006/volume_46 http://hub.abes.fr/acs/periodical/jcisd8/2007/volume_47 http://hub.abes.fr/acs/periodical/jcisd8/2008/volume_48
is is part of this journal of	Final Cut Express HD: Digital Video Editing forEveryone (Apple Pro Training) By Diana Weynand. Adobe(Peachpit) Press: Berkeley, CA. 2006. 512 pp and DVD. ISBN0-321-33533-3. Softcover. U.S. $49.99. Journal of Chemical Information and Modeling Use of Structure Descriptors To Discriminate between Modes of Toxic Action of Phenols Molecular Modeling of Anti-Bredt Compounds Human Rhinovirus 3C Protease: Generation of Pharmacophore Models for Peptidicand Nonpeptidic Inhibitors and Their Application in Virtual Screening Molecular Modeling of DNA Cross-linking Analogues Based on the Azinomycin Scaffold Simple Method for Identification of Skeletons of Aporphine Alkaloids from 13C NMRData Using Artificial Neural Networks 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 Automatic Generation of Complementary Descriptors with Molecular Graph Networks A Discussion of Measures of Enrichment in Virtual Screening: Comparing theInformation Content of Descriptors with Increasing Levels of Sophistication An Automated Method for Exploring Targeted Substructural Diversity within Sets ofChemical Structures Development and Validation of Empirical Force Field Parameters for Netropsin QSAR Model for Predicting Pesticide Aquatic Toxicity On Updating Torsion Angles of Molecular Conformations Generation of a Focused Set of GSK Compounds Biased toward Ligand-GatedIon-Channel Ligands Flux (1): A Virtual Synthesis Scheme for Fragment-Based de Novo Design The ROBIA Program for Predicting Organic Reactivity SOMA − Workflow for Small Molecule Property Calculations on a MultiplatformComputing Grid Benchmarking of Linear and Nonlinear Approaches for QuantitativeStructure−Property Relationship Studies of Metal Complexation with Ionophores Structural Unit Analysis Identifies Lead Series and Facilitates Scaffold Hopping inCombinatorial Chemistry In Silico Analysis of the Thermodynamic Stability Changes of Psychrophilic andMesophilic α-Amylases upon Exhaustive Single-Site Mutations 2D Structure Depiction Ligand Coordinate Analysis of SC-558 from the Active Site to the Surface of COX-2: AMolecular Dynamics Study Unsupervised 3D Ring Template Searching as an Ideas Generator for ScaffoldHopping: Use of the LAMDA, RigFit, and Field-Based Similarity Search (FBSS)Methods Modeling Robust QSAR Role of Aromacity, Ring Strain, and Stereochemistry of Selected Disulfides and TheirCongeners in the Oxidative Linkage of DNA Strands at the Major Groove. AComputational Study A Novel Method to Simulate the Hydrophobic Effect and Its Application to the Rankingof Host/Guest Complexes Synergistic Use of Compound Properties and Docking Scores in Neural NetworkModeling of CYP2D6 Binding: Predicting Affinity and Conformational Sampling In Vitro Drug Sensitivity-Gene Expression Correlations Involve a Tissue of OriginDependency Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application toCYP2D6 Metabolic Stability Strain-Free Total Resonant Sextet Benzenoids and Their Antisextet Dualists andRetro-Leapfrogs Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures ofProtein−Ligand Complexes Reaction Site Mapping of Xenobiotic Biotransformations Evaluating Virtual Screening Methods: Good and Bad Metrics for the “EarlyRecognition” Problem Exploration of Cluster Structure−Activity Relationship Analysis in EfficientHigh-Throughput Screening Stochastic versus Stepwise Strategies for Quantitative Structure−Activity RelationshipGenerationHow Much Effort May the Mining for Successful QSAR Models Take? QSAR Analyses of Skin Penetration Enhancers Molecular Basis SetsA General Similarity-Based Approach for Representing ChemicalSpaces Rapid Estimation of Relative Protein−Ligand Binding Affinities Using aHigh-Throughput Version of MM-PBSA Development of a Spectral Clustering Method for the Analysis of Molecular Data Sets Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties ConCept: de Novo Design of Synthetic Receptors forTargeted Ligands [J. Chem. Inf. Model. 47, 425−434(2007)] Nontraditional Careers for Chemists: New Formulas inChemistry By Lisa M. Balbes. Oxford University Press, NewYork, NY. 2007. xi + 307 pp + bibliography and indexes. ISBN0-19-518366-5, hardcover, U.S. $74.50. ISBN 0-19-518367-3,softcover, U.S. $27.95. Meta-Code for Systematic Analysis of Chemical Addition (SACHA): Application toFluorination of C70 and Carbon Nanostructure Growth Conformational Analysis of TMC114, a Novel HIV-1 Protease Inhibitor Human Microsomal Prostaglandin E Synthase-1 (mPGES-1) Binding with Inhibitorsand the Quantitative Structure−Activity Correlation Naïve Bayes Classification Using 2D Pharmacophore Feature Triplet Vectors Chemical Descriptors Library (CDL): A Generic, Open Source Software Library for Chemical Informatics Electronic Structure Study of Thermal Intraconversions of Some Dicyclopenta-Fused Polycyclic Aromatic Compounds Copper(II) Ion Binding to Cellular Prion Protein Structural Basis for Selective Inhibition of Trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase: Molecular Docking and 3D QSAR Studies Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments Web Server To Identify Similarity of Amino Acid Motifs to Compounds (SAAMCO) MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug Screening Computationally Identified Novel Diphenyl- and Phenylpyridine Androgen Receptor Antagonist Structures Real World Adobe Photoshop CS By David Blatner andBruce Fraser. Peachpit Press: Berkeley, CA. 2004. 928 pp.Paperback. ISBN 0-321-24578-4. $49.99. Pharmacophore Identification, in Silico Screening, and Virtual Library Design forInhibitors of the Human Factor Xa Fluorine−Fluorine Spin−Spin Coupling Constants in Aromatic Compounds: Correlations with the Delocalization Index and with the Internuclear Separation Periodic Cages A Statistical Model for Predicting Protein Folding Rates from Amino Acid Sequencewith Structural Class Information k Nearest Neighbors QSAR Modeling as a Variational Problem: Theory andApplications Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplificationthrough the in Silico Generation of Poly(ADP-ribose)polymerase Ligands Application of the Random Forest Method in Studies of Local Lymph Node Assay BasedSkin Sensitization Data Nanoporous Carbon Allotropes by Septupling Map Operations Probing Fragment Complementation by Rigid-Body Docking: in Silico Reconstitution ofCalbindin D9k An Automated System for the Analysis of G Protein-Coupled Receptor TransmembraneBinding Pockets: Alignment, Receptor-Based Pharmacophores, and Their Application Software Review: ChemOffice 2005 Pro by CambridgeSoft Prediction of Properties from Simulations: A Re-examination with Modern StatisticalMethods Molecular Dynamics Integration Meets Standard Theory of Molecular Vibrations Membrane Switch Hypothesis. 1. Cell Density Influences Lateral Domain Structure ofTumor Cell Membranes Biomedical Simulation of Heat Transfer in a Human Heart Theoretical Study of Changes in π-Electron Delocalization in the Analogues of anortho-Hydroxy Schiff Base When the Proton Is Replaced with Li+ or BeH+ “Anticonnectivity”: A Challenge for Structure−Property−Activity Studies Quantitative Structure−Activity Relationship Modeling of Juvenile Hormone MimeticCompounds for Culex Pipiens Larvae, with a Discussion of Descriptor-ThinningMethods Videoconferencing and Other Distance Education Techniques in ChemoinformaticsTeaching and Research at Indiana University A Searchable Database for Comparing Protein−Ligand Binding Sites for the Analysis ofStructure−Function Relationships The Molecule Evoluator. An Interactive Evolutionary Algorithm for the Design ofDrug-Like Molecules Pharmacophore Modeling and in Silico Screening for New P450 19 (Aromatase)Inhibitors A QXP-Based Multistep Docking Procedure for Accurate Prediction of Protein−LigandComplexes Instrument Monitoring, Data Sharing, and Archiving Using Common InstrumentMiddleware Architecture (CIMA) Quantitative Structure−Activity Relationship Studies on Inhibition of HERG PotassiumChannels Root Mean Square Deviation Probability Analysis of Molecular Dynamics Trajectorieson DNA A Distance Function for Retrieval of Active Molecules from Complex Chemical SpaceRepresentations Classification Tree Models for the Prediction of Blood−Brain Barrier Passage of Drugs The Effects of Biasing Torsional Mutations in a Conformational GA Strain-Free Sextet-Resonant Benzenoids and Their Antisextet Dualists QSAR − How Good Is It in Practice? Comparison of Descriptor Sets on an UnbiasedCross Section of Corporate Data Sets

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