Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 13, Issue 1, Pages 237-255Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2004.09.039
Keywords
polarizability; NVE; QSAR; enzymes; receptors; chemical-biological interaction
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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 (C) 2004 Elsevier Ltd. All rights reserved.
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