Hello PP users,

I am looking for help in analyzing my screening data. I have three small groups (of few hundred compounds each) of actives (Ac1, Ac2, Ac3) where each group has few sets of similar scaffold molecules. I also have a general library (few hundred thousand compounds) called Lib1.

This is what I aim to do:

How many similar compounds Lib1 has w.r.t. each active group, i.e., x% of Lib1 compounds have Tanimoto coeff. (TC) between 0 and 0.1, x1% of Lib1 compounds have TC between 0.1 to 0.2, … and so forth for each active group. And to make a plot of it (something like this)

I would appreciate any suggestion.

Thanxs

Nar