Pre-training improves CLMs' encoding of molecular substructures especially in upper layers while fine-tuning selectively modifies task-relevant substructures more than others.
ap- plication to the study of biodegradation.Journal of Chemical Information and Computer Sciences, 32(5):474–482
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Probing Chemical Language Models: Effects of Pre-training and Fine-tuning
Pre-training improves CLMs' encoding of molecular substructures especially in upper layers while fine-tuning selectively modifies task-relevant substructures more than others.