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Number of results

Journal

2006 | 4 | 3 | 428-439

Article title

Experimental and modelling studies on antifungal compounds

Content

Title variants

Languages of publication

EN

Abstracts

EN
Antifungal activity of organic compounds (aromatic, salicylic derivatives, cinnamyl derivatives etc) on Fusarium Rosium (14 compounds) and Aspergillus niger (17 compounds) was studied and QSAR models were developed relating molecular descriptors with the observed activity. Back propagation Neural Network models and single and multiple regression models were tested for predicting the observed activity. The data fit as well as the predictive capability of the neural network models were satisfactory (R2 = 0.84, q2 = 0.73 for Fusarium Rosium and R2 = 0.75, q2 = 0.62 for Aspergillus niger). The descriptors used in the network for the former were X4 (connectivity) and Jhetv (topological); and TIC1 (information) and SPI (topological) for the latter fungus. Antifungal activities of these organic compounds were generally lower against the latter than with the former fungus.

Publisher

Journal

Year

Volume

4

Issue

3

Pages

428-439

Physical description

Dates

published
1 - 9 - 2006
online
1 - 9 - 2006

Contributors

author
  • Department of Biotechnology, Indian Institute of Technology, Madras, Chennai, 600036, India
author
  • Department of Chemistry, SSS Institute of Higher Learning, Prasanthi Nilayam, Andhra Pradesh, India

References

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Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.-psjd-doi-10_2478_s11532-006-0022-4
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