FDA, Pharmaceuticals and Screening Hits

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. 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. Many have suggested that pharmaceutical companies should open more of their data to the community.

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.

Screening Hits

Screening Hits FDA Approval Drugs FDA

Drug Discovery Digest

We Need Better Benchmarks for Machine Learning in Drug Discovery

A PAINful itch

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