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HERO ID
8405829
Reference Type
Journal Article
Title
On the role of polarizability in QSAR
Author(s)
Verma, RP; Kurup, A; Hansch, C
Year
2005
Is Peer Reviewed?
Yes
Journal
Bioorganic & Medicinal Chemistry
ISSN:
0968-0896
EISSN:
1464-3391
Volume
13
Issue
1
Page Numbers
237-255
Language
English
DOI
10.1016/j.bmc.2004.09.039
Abstract
The QSAR model for the polarizability effects on ligand-substrate interactions can be illustrated in terms of NVE (number of valence electrons) by Eq. I.log1/C=a(NVE)±constant 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.log1/C=a(NVE)±constant © 2004 Elsevier Ltd. All rights reserved.
Keywords
Chemical-biological interaction; Enzymes; NVE; Polarizability; QSAR; Receptors
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