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Topological Analysis of Long-Chain Branching Patterns in Polyolefins
E-State Modeling of Corticosteroids Binding AffinityValidation of Model for Small DataSet
A Program for Linear Regression with a Common Point of Intersection: The IsokineticRelationship
Chemical Markup, XML, and the World-Wide Web. 3. Toward a Signed SemanticChemical Web of Trust
Distinct Molecular Surfaces and Hydrophobicity of Amino Acid Residues in Proteins
13C NMR Quantitative Spectrometric Data-Activity Relationship (QSDAR) Models ofSteroids Binding the Aromatase Enzyme
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism andValidation
How Does Consensus Scoring Work for Virtual Library Screening? An IdealizedComputer Experiment
Representation of Molecular Configurations by CAST Coding Method
Models of Polychlorinated Dibenzodioxins, Dibenzofurans, and Biphenyls BindingAffinity to the Aryl Hydrocarbon Receptor Developed Using 13C NMR Data
Polarizability Fields for Use in Three-Dimensional Quantitative Structure−ActivityRelationship (3D-QSAR)
Using Protochirons for Three-Dimensional Coding of Certain Chemical Structures
QSAR Analysis of Hypoglycemic Agents Using the Topological Indices
A Framework for the Evaluation of Chemical Structure Databases
QSARs for 6-Azasteroids as Inhibitors of Human Type 1 5α-Reductase: Prediction ofBinding Affinity and Selectivity Relative to 3-BHSD
On 3-D Graphical Representation of Proteomics Maps and Their NumericalCharacterization
Is There a Difference between Leads and Drugs? A Historical Perspective
Prediction of Biological Activity for High-Throughput Screening Using Binary KernelDiscrimination
Prediction of Aqueous Solubility of Organic Compounds by the General SolubilityEquation (GSE)
The Influence of Different Structure Representations on the Clustering of an RNANucleotides Data Set
A Novel Index for the Description of Molecular Linearity
Chemical Markup, XML and the World-Wide Web. 2. Information Objects and theCMLDOM
Theoretical Descriptors for the Correlation of Aquatic Toxicity of EnvironmentalPollutants by Quantitative Structure-Toxicity Relationships
Toward an Optimal Procedure for Variable Selection and QSAR Model Building
A Fuzzy ARTMAP Based on Quantitative Structure−Property Relationships (QSPRs)for Predicting Aqueous Solubility of Organic Compounds
Prediction of n-Octanol/Water Partition Coefficients from PHYSPROP Database UsingArtificial Neural Networks and E-State Indices
Statistical Analysis of DOE EML QAP Data from 1982 to 1998
Prediction of Enzyme Binding: Human Thrombin Inhibition Study by QuantumChemical and Artificial Intelligence Methods Based on X-ray Structures
Prediction of Aqueous Solubility of Heteroatom-Containing Organic Compounds fromMolecular Structure
QSAR Study of 1,8-Naphthyridin-4-ones As Inhibitors of Photosystem II
On Graphical and Numerical Characterization of Proteomics Maps
Protocols for Bridging the Peptide to Nonpeptide Gap in Topological Similarity Searches
Prediction of Henry's Law Constants by a Quantitative Structure Property Relationshipand Neural Networks
Estimating the Water Solubilities of Crystalline Compounds from Their ChemicalStructures Alone
A Nonlinear Group Contribution Method for Predicting the Free Energies of InclusionComplexation of Organic Molecules with α- and β-Cyclodextrins
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