Review for NeurIPS paper: Reinforced Molecular Optimization with Neighborhood-Controlled Grammars

Neural Information Processing Systems 

Additional Feedback: I appreciate the authors for addressing most of my concerns. I have updated my score from 4 to 6. i) For the empirical evaluation, I understand that the proposed method performs better than the method I found, when compared in fair settings. I think the experimental setting is sound enough, because the evaluation score is independent of the classifier. I wish the authors mention the existence of such benchmark environments in the main text so that following papers can use them. I would like the authors to clarify that the valency-preserving property comes from the inference algorithm rather than the definition of the molecular NCE grammar, because Definition 1 does not much specify the embedding function phi. For example, if we add phi(1, 6) "..." in the production rule shown in the top of Figure 2, this production rule does not preserve the degree of node 1, while the embedding function with phi(1, 6) "..." is still legal.