We Need Better Benchmarks for Machine Learning in Drug Discovery
Practical Cheminformatics
AUGUST 3, 2023
Most pharmaceutical compounds tend to have solubilities somewhere between 1 and 500 µM. Assays are typically run within this relatively narrow range spanning 2.5 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
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