most citedDe novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning

7 citations · 7 across the 1 of their papers we have counts for

collaborators

1 paper

cs.LG2022★ 7 cited

De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning

Andrew D. McNaughton, Mridula S. Bontha, Carter R. Knutson +2

Efficient design and discovery of target-driven molecules is a critical step in facilitating lead optimization in drug discovery. Current approaches to develop molecules for a targ…