Predicting Biological Activity of 2,4,6-trisubstituted 1,3,5-triazines Using Random Forest
• 2014
Publication Information
Authors
Ahmed H Abu El-Atta, MI Moussa, Aboul Ella Hassanien
Keywords
Not Available
Journal
Not Available
Publisher
Not Available
Volume
Not Available
Issue
Not Available
Pages
Not Available
publication.type
International
Paper Link
Open Link
Supplementary Materials
Not Available
Abstract
This paper presents an approach to predict the activity of analogues of 2,4,6-trisubstituted 1,3,5-triazines as cannabinoid receptor (CB2) agonists using random forest technique. We compute twenty molecular descriptors for a data set of 58 analogues for the component, and depending on values of these descriptors we train random forest to find a relation between biological activity and molecular structure of analogues. The results obtained by random forest were compared with the decision tree and support vector machine classifiers and the random forest has 100% overall predicting accuracy and for decision tree and support vector machine were 93% and 67% respectively.
Staff Members - Benha University