REINVENT is a de novo design platform that uses generative models to sample compounds in SMILES format. SMILES generation is formulated as a natural language processing (NLP) problem whereby atoms are tokenized into machine-readable vocabulary. Compound SMILES are then generated token by token based on sequential conditional probabilities, analogous to a typical NLP problem. The underlying architecture of REINVENT uses RNNs and is based on work by Arús-Pous et al. The specific