Hi All,
I am trying to reproduce a SALI (Structure-Activity Landscape Index) data/plot from DataWarrior in a Knime workflow to investigated activity cliffs.
So far I have only got to the point of using a Similarity Calculation workflow shared by a previous user that is generating a Tanimoto distance matrix (1500x2200) to then use in the SALI equation.
Has anyone had any experience attempting this?
Thanks,
Oz