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Copyright © 1998 American Chemical Society
Copyright © 1998 American ChemicalSociety
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Classification of Organic Reactions: Similarity of Reactions Based on Changes in theElectronic Features of Oxygen Atoms at the Reaction Sites
Identification of Biological Activity Profiles Using Substructural Analysis and GeneticAlgorithms
Superposition of Three-Dimensional Chemical Structures Allowing for ConformationalFlexibility by a Hybrid Method
Quantitative Structure−Property Relationship (QSPR) Correlation of Glass TransitionTemperatures of High Molecular Weight Polymers
Dendritic and Star Polymers: Classification, Nomenclature, Structure Representation,and Registration in the DuPont SCION Database
Rational Combinatorial Library Design. 2. Rational Design of Targeted CombinatorialPeptide Libraries Using Chemical Similarity Probe and the Inverse QSAR Approaches
An Algorithm for Counting Spanning Trees in Labeled Molecular GraphsHomeomorphic to Cata-Condensed Systems
Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in AqueousSolution from Molecular Structure
PARM: A Genetic Evolved Algorithm To Predict Bioactivity
Pattern Recognition and Alternative Physical Chemistry Methodologies
Correlation of Boiling Points with Molecular Structure for Chlorofluoroethanes
A New Approach to Design Virtual Combinatorial Library with Genetic AlgorithmBased on 3D Grid Property
Large Virtual Enhancement of a 13C NMR Database. A Structural CrowningExtrapolation Method Enabling Spectral Data Transfer
Relationships of Critical Temperatures to Calculated Molecular Properties
GA Strategy for Variable Selection in QSAR Studies: GA-Based Region Selection forCoMFA Modeling
QSPR Prediction of Vapor Pressure from Solely Theoretically-Derived Descriptors
Genetic Algorithms in Conformational Analysis
On the Use of Chemical Function-Based Alignments as Input for 3D-QSAR
Analysis of Permanent Electric Dipole Moments of Aliphatic Hydrocarbon Molecules.2. DFT Results
Numerical Determination of the Kekulé Structure Count of Some SymmetricalPolycyclic Aromatic Hydrocarbons and Their Relationship with π-Electronic Energy(A Computational Approach)
Quality Criteria of Genetic Algorithms for Structure Optimization
A Cellular Automata Model of Acid Dissociation
Correlation of the Aqueous Solubility of Hydrocarbons and HalogenatedHydrocarbons with Molecular Structure
Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for ClusteringStructurally Similar Compounds
DIVSEL and COMPLIB - Strategies for the Design and Comparison of CombinatorialLibraries using Pharmacophoric Descriptors
Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Designof Targeted Combinatorial Chemical Libraries
Solvation Free Energies of Small Amines: An Interpretation Thereof and Its GeneralSignificance
An All-Path Version of the Wiener Index
Mining the NCI Anticancer Drug Discovery Databases: Genetic FunctionApproximation for the QSAR Study of Anticancer Ellipticine Analogues
FuturePapers
Negative Curvature Surfaces in Chemical Structures
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