The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure‐Property Modeling

This chapter contains sections titled: Introduction Background for Molecular Connectivity Development of Molecular Connectivity Molecular Connectivity Approach Molecular Connectivity Method QSAR Applications of Molecular Connectivity Chi Indexes Characterization of Molecular Shape Background: Steric or Shape Influence Methods for Steric Quantification Model of Molecular Shape Based on Chemical Graph Theory Shape Infromation in the Kappa Values Encoding Atom Identity Kappa Index Values for Small Molecules Molecular Shape Quantitation General Applications Specific Application of Kappa Indexes Characterization of Skeletal Atoms, the Topological State