AI in Drug Discovery - A Highly Opinionated Literature Review (Part II)
Practical Cheminformatics
JANUARY 8, 2024
A 2004 paper by Vigers and Rizzi proposed a similar strategy for docking studies. In addition to optimizing potency against a target of interest, we must design selective compounds with optimal pharmacokinetic profiles and a host of other desirable properties. It should be noted that this isn’t a new idea. What’s old is new again.
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