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.

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