Drugs, FDA and Screening Hits - Drug Discovery Digest

We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

AUGUST 3, 2023

Most papers describing new methods for machine learning (ML) in drug discovery report some sort of benchmark comparing their algorithm and/or molecular representation with the current state of the art. Many authors have simply classified any drugs used for psychiatric indications or drugs with side effects such as drowsiness as CNS penetrant.

Drugs

Drugs Biochemical Assays Metabolic Stability Screening Hits

A PAINful itch

Molecular Design

OCTOBER 14, 2018

One observation that I would make about modern drug discovery is that fact and opinion often become entangled to the extent that those who express (and seek to influence) opinions are no longer capable of distinguishing what they know from what they believe.

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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