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AI in Drug Discovery - A Highly Opinionated Literature Review (Part II)

Practical Cheminformatics

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.

Drugs 139
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Making a “Miracle” HIV Medicine

Codon

million by 2004. Pharmaceutical developers often avoid fluorine because the element can alter pharmacokinetics, making it hard to predict how a drug will be absorbed, metabolized, and excreted. By Kamal Nahas Scientists had no antiretroviral drugs when the AIDS crisis began in 1981. For more than two decades, the U.S.