Home >
Community >
How to select descriptor for QSAR model using weka?
Upvote
32
Downvote
+ Qsar
+ Qsar studies
+ Computational drug designing
Posted by
Adam Smith
How to select descriptor for QSAR model using weka?
I am working on MOE to generate a QSAR model. for my training data set I have calculated total 306 descriptors. Now, I want to select a combination of 3 descriptors which should show good R2 value with acceptable co-relation (<50%). I am trying weka but I am facing difficulties since I have not used it before. can any one give step wise procedure for the same? I have created CSV file for all 306 descriptors with their respective C,V,U and R values obtained from MOE.please guide me