SMILES-based deep generative scaffold decorator for de-novo drug design
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DOI: 10.1186/s13321-020-00441-8
Abstract: Molecular generative models trained with small sets of molecules represented as SMILES strings can generate large regions of the chemical space. Unfortunately, due to the sequential nature of SMILES strings, these models are not able… read more here.
Keywords: models trained; smiles based; scaffold; chemistry ... See more keywords