'Inductive' Descriptors: 10 Successful Years in QSAR

The paper overviews the developments of 'A New Model of Inductive Effect' - an approach introduced 10 years ago for calculation of Taft's substituent constants. The original model enabled accurate quantification of inductive parameters σ* and allowed approaching numerous important theoretical problems associated with inductive and steric interactions. A number of methods derived from the original approach have been reviewed and discussed including those for 'inductive' electronegativity, 'inductive' hardness-softness and 'inductive' partial charges. The practical use of 'inductive' reactivity indices as a novel and effective class of QSAR (quantitative structure-activity relationships) descriptors has been illustrated in the context of QSAR studies of antibacterial activity of organic chemicals and cationic peptides. The further developments and prospective applications of 'inductive' 3D QSAR descriptors in the area of computer-aided drug design have also been discussed.