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Comparison of electrotopological-state indices versus atomic charge and superdelocalisability indices in a QSAR study of the receptor binding properties of halogenated estradiol derivatives

Ghafourian, Taravat, Cronin, Mark T.D. (2004) Comparison of electrotopological-state indices versus atomic charge and superdelocalisability indices in a QSAR study of the receptor binding properties of halogenated estradiol derivatives. Molecular Diversity, 8 (4). pp. 343-355. (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:10417)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)

Abstract

The structural requirements for the binding of steroids to the oestrogen receptor (ER) are important both for the design of new

for estradiol derivatives, the atom-level electrotopological state indices have been compared with molecular orbital derived,

orbital parameters. The predictive power of the QSARs indicated that the superdelocalisability indices provide a better model

predictions were achieved when other molecular descriptors were also employed in the construction of the QSAR.

Item Type: Article
Subjects: Q Science
Q Science > QD Chemistry
Divisions: Faculties > Sciences > Medway School of Pharmacy
Depositing User: Taravat Ghafourian
Date Deposited: 18 Sep 2008 15:31 UTC
Last Modified: 28 May 2019 13:47 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/10417 (The current URI for this page, for reference purposes)
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