AI method predicts retention times of small molecules more reliably

Whether in drug discovery, environmental analysis or metabolomics: anyone analyzing complex biological samples often needs to identify the small molecules they contain.

The short version

• This article has been reviewed according to Science X's editorial process and policies .
• The team, led by bioinformatician Prof.
• Sebastian Böcker, presents the new tool in Nature Methods .

What happened

Biological samples such as blood, cell material or bacterial cultures can contain a vast number of different molecules. While DNA and proteins can now be analyzed relatively well using established methods, the diversity of small molecules—known as metabolites—is particularly high.

Why it matters

These include metabolic products, natural compounds, toxins, degradation products and many pharmaceutical substances.

Summary by Nerd News Network. Read the full article at Phys.org via the links above and below.