About: http://hub.abes.fr/acs/periodical/jcisd8/2007/volume_47/issue_3/w

Documentation

scienceplus.abes.fr version Bêta

scienceplus.abes.fr | explorer

À propos de : http://hub.abes.fr/acs/periodical/jcisd8/2007/volume_47/issue_3/w Goto Sponge NotDistinct Permalink

Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcisd8/2007/volume_47
has manifestation of work	http://hub.abes.fr/acs/periodical/jcisd8/2007/volume_47/issue_3/m/print http://hub.abes.fr/acs/periodical/jcisd8/2007/volume_47/issue_3/m/web
Date Copyrighted	2007
Rights	Copyright © 2007 American Chemical Society
issue	3
Rights Holder	American Chemical Society
is Is Part Of of	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 Molecules in Silico: A Graph Description of Chemical Reactions FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5CostLibrary Molecular Properties Investigation of a Substituted Aromatic Mannich Base: Dynamicand Static Models Docking of ATP to Ca-ATPase: Considering Protein Domain Motions QSPR Study of Critical Micelle Concentration of Anionic Surfactants UsingComputational Molecular Descriptors Puckering Coordinates of Monocyclic Rings by Triangular Decomposition Growth in Catacondensed Benzenoid Graphs One- to Four-Dimensional Kernels for Virtual Screening and the Prediction of Physical,Chemical, and Biological Properties QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligandsand Virtual Screening Using Partial Similarity Infrared Spectrum of 4-Methoxypicolinic Acid N-Oxide: Computation of AsymmetricO−H Stretching Band Graphical Representation and Numerical Characterization of H5N1 Avian FluNeuraminidase Gene Sequence Exploration of Rate-Limiting Conformational State for5-[(7-Chloro-4-quinolinyl)amino]-3-[(alkylamino)methyl][1,1‘-biphenyl]-2-ols andNω-Oxides (Tebuquine Analogues) for Antimalarial Activity Using Molecular ShapeAnalysis and Molecular Field Analysis Studies Important Mathematical Structures of the Topological Index Z for Tree Graphs Conformational Sampling of Bioactive Molecules: A Comparative Study Conformational Coverage by a Genetic Algorithm: Saturation of Conformational Space General Purpose Interactive Physico-Chemical Property Exploration Fuzzy Structure Generation: A New Efficient Tool for Computer-Aided StructureElucidation (CASE) Evaluation of Pseudomonas aeruginosa Deacetylase LpxC Inhibitory Activity of DualPDE4−TNFα Inhibitors: A Multiscreening Approach Mathematics of Periodic Tables for Benzenoid Hydrocarbons Numerical Kekulé Structures of Fullerenes and Partitioning of π-Electrons toPentagonal and Hexagonal Rings On the Cycle-Dependence of Topological Resonance Energy Method To Assess Packing Quality of Transmembrane α-Helices in Proteins. 1.Parametrization Using Structural Data Three Dissimilarity Measures to Contrast Dendrograms First-Principle Calculation of Reduced Masses in Vibrational Analysis UsingGeneralized Internal Coordinates: Some Crucial Aspects and Examples Mathematical Correction for Fingerprint Similarity Measures to ImproveChemical Retrieval Mellitic Trianhydride, C12O9: The Aromatic Oxide of Carbon Ensemble Feature Selection: Consistent Descriptor Subsets for Multiple QSAR Models Analysis of HIV Wild-Type and Mutant Structures via in Silico Docking against DiverseLigand Libraries A Novel Logic-Based Approach for Quantitative Toxicology Prediction On Three-Electron Bonds and Hydrogen Bonds in the Open-Shell Complexes [H2X2]+for X = F, Cl, and Br† QSAR Study of Antimicrobial Activity of Some 3-Nitrocoumarins and RelatedCompounds Trends and Plot Methods in MLR Studies Long-Distance Structural Consequences of H-Bonding. How H-Bonding AffectsAromaticity of the Ring in Variously Substituted Aniline/Anilinium/Anilide Complexeswith Bases and Acids Basis Set Exchange: A Community Database for Computational Sciences MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping Professor Nenad Trinajstić:Distinguished Researcher in Mathematical Chemistry Stochastic Pairwise Alignments and Scoring Methods for Comparative Protein StructureModeling Exhaustive QSPR Studies of a Large Diverse Set of Ionic Liquids: How Accurately CanWe Predict Melting Points? Four New Topological Indices Based on the Molecular Path Code Chemometric Approach in Quantification of Structural Identity/Similarity of Proteins inBiopharmaceuticals Exploration of Enzyme−Ligand Interactions in CYP2D6 & 3A4 Homology Models andCrystal Structures Using a Novel Computational Approach Characterization of Room-Temperature Ionic Liquids by the Abraham Model withCation-Specific and Anion-Specific Equation Coefficients Generalized Topological Indices. Modeling Gas-Phase Rate Coefficients of AtmosphericRelevance Evaluation of a Published in Silico Model and Construction of a Novel Bayesian Modelfor Predicting Phospholipidosis Inducing Potential Escherichiacoli versus Pseudomonas aeruginosa Deacetylase LpxC InhibitorsSelectivity: Surface and Cavity-Depth-Based Analysis Three-Dimensional Quantitative Structure−Activity Relationship of Nucleosides Actingat the A3 Adenosine Receptor: Analysis of Binding and Relative Efficacy Method To Assess Packing Quality of Transmembrane α-Helices in Proteins. 2.Validation by “Correct vs Misleading” Test Hamilton Cycles and Paths in Fullerenes Novel Approach for the Numerical Characterization of Molecular Chirality Identifying Promising Compounds in Drug Discovery: Genetic Algorithms and SomeNew Statistical Techniques 3D QSAR Methods: Phase and Catalyst Compared From Molecular to Biological Structure and Back Cluj and Related Polynomials Applied in Correlating Studies Alternative to Consensus ScoringA New Approach Toward the QualitativeCombination of Docking Algorithms Aromaticity of Carbon Nanotubes Protein−Protein Binding-Sites Prediction by Protein Surface Structure Conservation Estimation of Kováts Retention Indices Using Group Contributions

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata