Hello everyone,
I have two sets of data, one with ~3,000 compounds and the other around 400 molecules. I am interested in finding a correlation between inhibition activity of the these data and docking scores. I have performed several docking studies using Vina, Glide, and GOLD. However, I can't find any correlation. In attachment, is an example of poor correlation that I found using Glide.
I need your advice or suggestion on how to find a good correlation.
Thank you