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We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

It is quite a bit more potent than the values one finds with screening hits, which typically have IC50s in the single to double-digit µM range. In a 2022 review by Haddad of the CNS penetration of antibiotics, the percentage of Ceftriaxone in CSF relative to plasma varied between 0.5 I have a few ideas.

Drugs 97