Exploiting Pretrained Biochemical Language Models for Targeted Drug Design. (arXiv:2209.00981v1 [cs.LG])

Motivation: The development of novel compounds targeting proteins of interest
is one of the most important tasks in the pharmaceutical industry. Deep
generative models have been applied to targeted molecular design and have shown
promising results. Recently, target-specific molecule generation has been
viewed as a translation between the protein language and the chemical language.
However, such a model is limited by the availability of interacting
protein-ligand pairs. On the other hand, large amounts of unlabeled protein
sequences and chemical compounds …

arxiv design drug design language language models