The multiple condition (MC)-retention model is an uncertainty-aware graph-based neural network that predicts liquid chromatography (LC) retention times across multiple column chem ...

Researchers have demonstrated a new training technique that significantly improves the accuracy of graph neural networks (GNNs)—AI systems used in applications from drug discovery to weather ...

With the timsTOF Ultra, researchers can now dive into single-cell metabolomics in plants, offering a clearer, more detailed look at how alkaloids are made and where they’re coming from.