Amit K. Harit

4 Questions 5 Answers 0 Followers

Questions related from Amit K. Harit

queries related to 2D and 3D-QSAR study....???

1. What is the criteria for the selection of training and test set for QSAR model? 2. Is it compulsory for 3D-Model, you should choose best 2D-QSAR models training and test set data without...

17 March 2017 4,747 3 View

2D and 3D QSAR?

1. What is the criteria for the selection of training and test set for QSAR model? 2. Is it compulsory for 3D-Model, you should choose best 2D-QSAR models training and test set data without...

15 March 2017 1,464 4 View

Is there any relationship between docking score and biological activity?

I studied on a series of pyrimidine derivatives. I had biological study results which shows that their chloro derivative is most active. But the most active compound not have highest binding...

30 January 2017 4,200 12 View

How to calculate rmsd value between co-crystal and docked conformer from Chimera?

I want to calculate rmsd vale to validate my docking methodology. Number and types of atoms are same but the ID's are different that's by Discovery Studio visualizer not able to calculate rmsd...

25 January 2017 721 3 View