ai and drug discovery
AI and Drug Discovery: Attacking the Right Problems
The need to make decisions with sufficient quality is only compatible in some cases with the data we have at hand to reach this goal. If we want to advance drug discovery, then acknowledging the suitability of a given end point to answer a given question is at least as important as modelling a particular end point. . . The problem is, modeling is easier to start doing than dealing with that suitability question. It can also be harder to explain this point to investors, to granting agencies, and to upper management, because improvements in things like assay quality and target selection are harder to quantify and come on slowly. This, to me, is the big question looming over a lot of AI/ML approaches to drug discovery, and I'm really glad to see a paper addressing it head-on.