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FDA

Screening Hits

We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

AUGUST 3, 2023

Recent blog posts from Greg Landrum examined the impact of combining IC50 and Ki data from different assays. 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. 200nM is an odd choice for an activity cutoff.

Drugs

Drugs Biochemical Assays Metabolic Stability Screening Hits

A PAINful itch

Molecular Design

OCTOBER 14, 2018

The distinction between Type 1 and and Type 2 behaviors is an important and useful one to make from the perspective of drug discovery scientists who are making decisions as to which screening hits to take forward. It's now time to examine what SYI has to to say and singlet oxygen is as good a place as any to start from.

Screening Hits

Screening Hits FDA Approval Drugs FDA

We Need Better Benchmarks for Machine Learning in Drug Discovery

A PAINful itch

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