A Transformer pre-trained on millions of molecules improves drug-target binding affinity prediction, raising AUPR by up to 4.9 percentage points over the prior CNN-based state of the art.
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Self-Attention Based Molecule Representation for Predicting Drug-Target Interaction
A Transformer pre-trained on millions of molecules improves drug-target binding affinity prediction, raising AUPR by up to 4.9 percentage points over the prior CNN-based state of the art.