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How I can help
Virtual screening & hit identification
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. Then I run this workflow to create a shortlist of virtual hits for the wet lab.
ML platform development
I can help you scope, build and validate machine learning platforms to make the most of the data you are gathering and answer recurring questions like Does this compound bind? Does it permeate membranes?
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