On the role of polarizability in QSAR.
The polarizability of a molecule, an important physical property, is currently attracting our attention particularly in the area of QSAR for chemical-biological interactions. In this report, the polarizability effects on ligand-substrate interactions has been discussed in terms of NVE (number of valence electrons) using additive values for valence electrons and the formulation of a total number of 51 QSAR. The QSAR model can be illustrated by Eq. I. log 1/C = a(NVE) +/- constant
Verma
Rajeshwar P
RP
Department of Chemistry, Pomona College, Claremont, CA 91711, USA.
Kurup
Alka
A
Hansch
Corwin
C
D008024:Ligands; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship
D008024:Ligands