We Need Better Benchmarks for Machine Learning in Drug Discovery
Practical Cheminformatics
AUGUST 3, 2023
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 However, the many complications associated with cell assays would not make these my first choice for benchmarking. The molecules span the gamut from antibiotics to zinc oxide.
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