The DrugEx (version 2) model contained in the file named "chembl_27_v2_smiles_rnn_PT.pkg" was pretrained
with ChEMBL version 27.

The accompanying vocabulary used for the training of this model is contained in the file called
"chembl_27_v2_smiles_rnn_PT.vocab".

The molecules were preprocessed and the model was trained as explained in:

Liu, X., Ye, K., van Vlijmen, H.W.T. et al.
DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology.
J Cheminform 13, 85 (2021). https://doi.org/10.1186/s13321-021-00561-9

