I am performing virtual screening of small molecules. I have a dabase of 1.6 million molecules.
1. Should I use drug rules to filter the molecules before docking.
2: Currently, i am using six drug rules to filter the molecules
Here is the list of rules, Please guide me which rules i should apply
Lipinski's Rule of Five
Veber's Rule
Ghose Filter
Egan's Rule
Muegge Filter
Pfizer Rule
Lead-like Rule
PAINS Filter
I get a lot of small molecules rejected for docking when I follow all the rules. so please guide me which rules are essential and which combination i should use.