The alternative text for this image may have been generated using AI. The importance of structural information was tested with a model that lacked the fingerprint input to the encoder. This naïve ...

Metabolite annotation, especially the discovery of unknown metabolites, remains a fundamental challenge in mass spectrometry-based untargeted metabolomics due to limited reference mass spectra. Here ...

The development of successful algorithms means that it is now possible to predict the folds of small, single-domain proteins to an accurate degree, at atomic resolution. De novo methods require a ...