Electrotopological State Indices
Ovidiu Ivanciuc · Methods and principles in medicinal chemistry · 2007
This chapter contains sections titled: Introduction E-state Indices Molecular Graph Representation of Chemical Structures The Randić–Kier–Hall Molecular Connectivity Indices The E-state Index Hydrogen Intrinsic State Bond E-state Indices E-state 3D Field Atom-type E-state Indices Other E-state Indices Application of E-State Indices in Medicinal Chemistry Prediction of Aqueous Solubility QSAR Models Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) Mutagenicity and Carcinogenicity Anticancer Compounds Virtual Screening of Chemical Libraries Conclusions and Outlook