Novel substitution constant for QSAR studies

Authors
Agrawal, VK Bano, S Mathur, KC Khadikar, PV Karmakar, S
Citation
Vk. Agrawal et al., Novel substitution constant for QSAR studies, NATL ACAD S, 22(3-4), 1999, pp. 55-59
Citations number
15
Categorie Soggetti
Multidisciplinary
Journal title
NATIONAL ACADEMY SCIENCE LETTERS-INDIA
ISSN journal
0250541X → ACNP
Volume
22
Issue
3-4
Year of publication
1999
Pages
55 - 59
Database
ISI
SICI code
0250-541X(199903/04)22:3-4<55:NSCFQS>2.0.ZU;2-6
Abstract
A novel substitution constant in QSAR analysis is proposed. The constant wa s derived by calculating newly introduced Szeged index (Sz) for a root grap h and designated as Sz(S). The QSAR study has indicated that Sz(S) is a bet ter substitution constant compared to sigma constant used in linear-free-en ergy-relationship.