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Predicting Biological Activity of 2,4,6-trisubstituted 1,3,5-triazines Using Random Forest

• 2014
العودة
معلومات البحث
المؤلفون Ahmed H Abu El-Atta, MI Moussa, Aboul Ella Hassanien
الكلمات المفتاحية Not Available
المجلة العلمية Not Available
الناشر Not Available
المجلد Not Available
العدد Not Available
الصفحات Not Available
publication.type International
رابط البحث Open Link
المواد المرفقة Not Available
الملخص
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.