ASSET Seminar: How to Design Molecules that Dock Well but Can’t Exist, Jacob Gardner, Ph.D.
ASSET Seminar: How to Design Molecules that Dock Well but Can’t Exist, Jacob Gardner, Ph.D.
ABSTRACT:BIO Machine learning has become an indispensable aid to researchers developing the next generation of novel therapeutics. In this talk, I will discuss how some of the most important problems in virtual screening for new potential drug molecules can be cast as black-box optimization problems, where the goal is to find molecules maximizing some desired property […]