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 |
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| Additional URLs: |
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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 |
| Institutional Unit: | Schools > School of Engineering, Mathematics and Physics > Physics and Astronomy |
| Former Institutional Unit: |
Divisions > Division of Natural Sciences > Physics and Astronomy
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| Depositing User: | M.A. Ziai |
| Date Deposited: | 22 Sep 2009 12:07 UTC |
| Last Modified: | 20 May 2025 09:33 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/18197 (The current URI for this page, for reference purposes) |
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