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Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41
has manifestation of work	http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_3/m/print http://hub.abes.fr/acs/periodical/jcics1/2001/volume_41/issue_3/m/web
Date Copyrighted	2001
Rights	Copyright © 2001 American Chemical Society
issue	3
Rights Holder	American Chemical Society
is Is Part Of of	Characterization of DNA Primary Sequences Based on the Average Distances betweenBases The Variable Connectivity Index 1χf versus the Traditional Molecular Descriptors: AComparative Study of 1χf Against Descriptors of CODESSA On Structural Interpretation of Several Distance Related Topological Indices Quantitative Structure−Activity Relationship Studies Using Gaussian Processes Molecular Similarity for Small Species: Refining the Isoelectronic Index Comparison of a Neural Net-Based QSAR Algorithm (PCANN) with Hologram- andMultiple Linear Regression-Based QSAR Approaches: Application to1,4-Dihydropyridine-Based Calcium Channel Antagonists Novel Shape Descriptors for Molecular Graphs On Walks in Molecular Graphs QSAR with Few Compounds and Many Features Graph Valence Shells as Molecular Descriptors A New Descriptor for Structure−Property and Structure−Activity Correlations Prediction of Nonlinear Optical Responses of Organic Compounds On Interpretation of Well-Known Topological Indices Application of Neural Networks to Modeling and Estimating Temperature-DependentLiquid Viscosity of Organic Compounds Retro-RegressionAnother Important Multivariate Regression Improvement Variable Connectivity Index for Cycle-Containing Structures Design and Prioritization of Plates for High-Throughput Screening Comparison of Knowledge-Based and Distance Geometry Approaches for Generation ofMolecular Conformations Aromaticity in Transition Metal Oxide Structures k-Resonant Benzenoid Systems and k-Cycle Resonant Graphs On the Characterization of DNA Primary Sequences by Triplet of Nucleic Acid Bases Graph-Theoretical Analysis of Tunneling Electron Transfer in Large PolycyclicAromatic Hydrocarbon Networks The Overall Wiener IndexA New Tool for Characterization of Molecular Topology Prediction of Mutagenicity of Aromatic and Heteroaromatic Amines from Structure: AHierarchical QSAR Approach 3D-Quantitative Structure−Activity Relationships of HEPT Derivatives as HIV-1Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations Construction of a Perfectly N-Representable Two-Electron Density Matrix Carrying FullInformation on an Interacting System Further Developments in Determining the Number of Resonance Structures inBenzenoid Free Radicals: Analytical Expressions and Elementary Substructures Comparison of the NCI Open Database with Seven Large Chemical StructuralDatabases 3D Connectivity Indices in QSPR/QSAR Studies Optimization and Empirical Modeling of HG-ICP-AES Analytical Technique throughArtificial Neural Networks Neural Network Based Chemical Structure Indexing Quantum Molecular Similarity. 3. QTMS Descriptors Second Indo−U.S. Workshop on Mathematical ChemistryMay 30−June 3, 2000Duluth, Minnesota Association of Two 3D QSAR Analyses. Application to the Study of Partial AgonistSerotonin-3 Ligands A Criteria To Classify Biological Activity of Benzimidazoles from a Model of StructuralSimilarity Distance-Related Indexes in the Quantitative Structure−Property RelationshipModeling Interpretation of Quantitative Structure−Property and −Activity Relationships Fingerprint Scaling Increases the Probability of Identifying Molecules with SimilarActivity in Virtual Screening Calculations Wiener Index Extension by Counting Even/Odd Graph Distances The Variable Molecular Descriptors Based on Distance Related Matrices On Use of the Variable Connectivity Index 1χf in QSAR: Toxicity of Aliphatic Ethers How Far Are Molecular Connectivity Descriptors from IS Molecular PseudoconnectivityDescriptors? Infrared Spectra as Chemical Descriptors for QSAR Models On Finding Nonisomorphic Connected Subgraphs andDistinct Molecular Substructures [J. Chem. Inf. Comput.Sci. 41, 314−320 (2001)] CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities Graph Theoretical Descriptors of Two-Dimensional Chirality with Possible Extension toThree-Dimensional Chirality Quantitative Structure−Property Relationships (QSPRs) for the Estimation of VaporPressure: A Hierarchical Approach Using Mathematical Structural Descriptors Classification of Environmental Estrogens by Physicochemical Properties UsingPrincipal Component Analysis and Hierarchical Cluster Analysis Molecular Complexity and Its Impact on the Probability of Finding Leads for DrugDiscovery A Fast Algorithm for Searching for Molecules Containing a Pharmacophore in VeryLarge Virtual Combinatorial Libraries

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