Estimation of Anti-HIV Activity of HEPT Analogues Using MLR, ANN, and SVM Techniques
Joint Authors
Shaik, Basheerulla
Zafar, Tabassum
Agrawal, Vijay K.
Source
International Journal of Medicinal Chemistry
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-8, 8 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-12-30
Country of Publication
Egypt
No. of Pages
8
Main Subjects
Abstract EN
The present study deals with the estimation of the anti-HIV activity (log1/C) of a large set of 107 HEPT analogues using molecular descriptors which are responsible for the anti-HIV activity.
The study has been undertaken by three techniques MLR, ANN, and SVM.
The MLR model fits the train set with R2=0.856 while in ANN and SVM with higher values of R2=0.850, 0.874, respectively.
SVM model shows improvement to estimate the anti-HIV activity of trained data, while in test set ANN have higher R2 value than those of MLR and SVM techniques.
Rm2= metrics and ridge regression analysis indicated that the proposed four-variable model MATS5e, RDF080u, T(O⋯O), and MATS5m as correlating descriptors is the best for estimating the anti-HIV activity (log 1/C) present set of compounds.
American Psychological Association (APA)
Shaik, Basheerulla& Zafar, Tabassum& Agrawal, Vijay K.. 2013. Estimation of Anti-HIV Activity of HEPT Analogues Using MLR, ANN, and SVM Techniques. International Journal of Medicinal Chemistry،Vol. 2013, no. 2013, pp.1-8.
https://search.emarefa.net/detail/BIM-498779
Modern Language Association (MLA)
Shaik, Basheerulla…[et al.]. Estimation of Anti-HIV Activity of HEPT Analogues Using MLR, ANN, and SVM Techniques. International Journal of Medicinal Chemistry No. 2013 (2013), pp.1-8.
https://search.emarefa.net/detail/BIM-498779
American Medical Association (AMA)
Shaik, Basheerulla& Zafar, Tabassum& Agrawal, Vijay K.. Estimation of Anti-HIV Activity of HEPT Analogues Using MLR, ANN, and SVM Techniques. International Journal of Medicinal Chemistry. 2013. Vol. 2013, no. 2013, pp.1-8.
https://search.emarefa.net/detail/BIM-498779
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-498779