Definition, FDA Approval and Screening Hits

A PAINful itch

Molecular Design

OCTOBER 14, 2018

An 'unofficial' definition for the term PAINS has actually been published and I think that it's pretty good: "PAINS, or pan-assay interference compounds, are compounds that have been observed to show activity in multiple types of assays by interfering with the assay readout rather than through specific compound/target interactions."

Screening Hits

Screening Hits FDA Approval Drugs FDA

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. Clear Definitions of Training, Validation, and Test Set Splits When building a machine learning model, it’s important to divide the data into training, (sometimes) validation, and test sets.

Drugs

Drugs Biochemical Assays Metabolic Stability Screening Hits

Drug Discovery Digest

A PAINful itch

We Need Better Benchmarks for Machine Learning in Drug Discovery

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