A potential medicine is more than a binding score.

One property is never the whole picture

A strong interaction with a target can be scientifically interesting, but it is only one part of a therapeutic hypothesis. A candidate must also be considered in the context of selectivity, exposure, safety, and the practicalities of making and testing it.

Make trade-offs explicit

Improving one property can change another. A useful design process makes those tensions visible rather than hiding them inside a single score. The right balance depends on the biological question and the intended therapeutic context.

Move from ranking to reasoning

AI can help explore possibilities, but prioritization still needs a rationale. Why this molecular idea? What uncertainty matters most? Which experiment would tell us whether it deserves further work? These questions turn a ranked list into a scientific plan.