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Breaking C-F bonds in drugs

Metabolite Tales Blog

Now >20% of all commercialised medicines in the pharmaceutical industry contain a fluorine atom [2]. In 2021, almost one third of FDA approved drugs contained at least one fluorine. References [1] Metabolic and Pharmaceutical Aspects of Fluorinated Compounds. Benjamin M. Bourgeois, James A. Perkins, Arsany A.

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We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

Most pharmaceutical compounds tend to have solubilities somewhere between 1 and 500 µM. I wrote more about the problems with this dataset in a Practical Cheminformatics post in 2018. Over the last 40 years, the pharmaceutical industry has developed a wide range of invitro and invivo assays for assessing the safety of drug candidates.

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