Every target is different, so I start by evaluating which computational approach (ligand-based ML, co-folding, physics-based methods, or a combination) is most likely to work for yours. The goal is a ranked shortlist of hits you can take into the lab with confidence.

I can help you scope, build and validate machine learning platforms to help answer recurring questions where you are starting to gather data, such as “does the compound bind”, or “does it permeate membranes”.