SmilesT5 shows that pretraining a T5 model to reconstruct Murcko scaffolds and predict molecular fragments beats masked-language pretraining on six molecular property classification benchmarks.
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SmilesT5: Domain-specific pretraining for molecular language models
SmilesT5 shows that pretraining a T5 model to reconstruct Murcko scaffolds and predict molecular fragments beats masked-language pretraining on six molecular property classification benchmarks.