2018 and Screening Hits - Drug Discovery Digest

We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

AUGUST 3, 2023

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. I wrote more about the problems with this dataset in a Practical Cheminformatics post in 2018. 200nM is an odd choice for an activity cutoff.

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Drugs Biochemical Assays Metabolic Stability Screening Hits

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Drug Hunter

AUGUST 21, 2023

A nitroimidazole drug called fexinidazole was approved by the EMA in 2018, and guidelines from the WHO the following year approved a 10-day regime as the standard of care. A) Progression of a Novartis HAT program from a screening hit to brain-penetrant leads. Figure 18.

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Drugs Disease Targeted Protein Degradation Screening Hits

Drug Discovery Digest

We Need Better Benchmarks for Machine Learning in Drug Discovery

How to Get Drugs Into the Brain

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