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@Towards_Entropy But is that really a bigger problem? Dealing with structure constraints seems to be more straightforward (bias towards similar scaffolds, e.g. https://t.co/D55vEghufZ) than dealing with activity constraints
@Towards_Entropy But is that really a bigger problem? Dealing with structure constraints seems to be more straightforward (bias towards similar scaffolds, e.g. https://t.co/D55vEghufZ) than dealing with activity constraints
RT @reymondgroup: The paper "SMILES-based deep generative scaffold decorator for de-novo drug design" has just been published in Journal of…
RT @reymondgroup: The paper "SMILES-based deep generative scaffold decorator for de-novo drug design" has just been published in Journal of…