Skip to main content
Kent Academic Repository

On Flexible Fitting Using The Molecular Similarity Index. A neural network analysis for antileishmaniasis compounds

Montanari, Carlos A., Tute, M.S. (1997) On Flexible Fitting Using The Molecular Similarity Index. A neural network analysis for antileishmaniasis compounds. Quantitative Structure-Activity Relationships, 16 (6). pp. 480-481. ISSN 0931-8771. (doi:10.1002/qsar.19970160607) (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:18197)

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.
Official URL:
http://dx.doi.org/10.1002/qsar.19970160607

Abstract

Pentamidine analogues bind to the minor groove by using the pharmacophoric conformation as being isohelical do DNA. A QSAR model has disclosed three physiochemical descriptors as being important for such compounds against Leishmania mexicana amazonensis: Clog P, electrotopological index and Carbo similarity index. A comparison of the QSAR equation derived from multiple regression analysis, MRA, and the one from neural network analysis, NN, shows the latter to be of higher significance.

Item Type: Article
DOI/Identification number: 10.1002/qsar.19970160607
Uncontrolled keywords: neural network; multiple regression analysis; DNA minor groove binders; pentamidine analogues; antileishmaniasis compounds
Subjects: R Medicine > R Medicine (General)
Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: M.A. Ziai
Date Deposited: 22 Sep 2009 12:07 UTC
Last Modified: 16 Nov 2021 09:56 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/18197 (The current URI for this page, for reference purposes)

University of Kent Author Information

  • Depositors only (login required):

Total unique views for this document in KAR since July 2020. For more details click on the image.