This minor release includes
- an adjustment about the
-s/--smilesoption to equally submit a single SMILES string to predict the EAS pattern - an updated prediction about the quick set (36 substrates of different scaffolds) run with the current tools backed by an updated MOPAC2016 (21.128L instead of 20.342L). In this set, the predicted patterns today are the same as in December 2020.