2018 FDA Approval Metabolic Stability Research 
Metabolite Tales Blog
MAY 12, 2023
In 2021, almost one third of FDA approved drugs contained at least one fluorine. This was surprising given that replacement of a phenyl with a pyrimidine and fluorination of aryl or heteroaryl rings are techniques often used to increase metabolic stability. Amaya, Rebecca Durandis, David S. Bourgeois, James A.
Practical Cheminformatics
AUGUST 3, 2023
I wrote more about the problems with this dataset in a Practical Cheminformatics post in 2018. Clintox – This dataset consists of 1483 SMILES strings and two binary labels indicating whether a molecule is an FDA-approved drug and whether a toxicity outcome has been reported. I have a few ideas.
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