Seeing Chemistry in the Code: Justin van der Hooft on Patterns, Precision, and the Power of Presentation

When Dr. Justin van der Hooft spotted two small mass fragments buried in a spreadsheet — 136 and 119 — he knew something had clicked. That data would contribute to the early version of MS2LDA, a now widely used tool in substructure-based mass spectral analysis. In this interview, Justin shares how big data meets intuition, why communication should shape a paper from its earliest draft, and how his team is working to make metabolomics tools not only scalable, but deeply usable for natural product discovery.

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Dr. Justin van der Hooft is an Assistant Professor at Wageningen University & Research, NL, where he leads the Computational Metabolomics Group. His team develops computational tools and workflows that allow researchers to interpret complex untargeted metabolomics data, often integrating it with genomic information. By drawing on principles from natural language processing and systems biology, his work helps prioritize and annotate bioactive molecules from large datasets. Current research also includes visualization strategies and scalable data-mining frameworks, particularly for plant and microbial ecosystems. Through projects like NPLinker 2.0, FERMO, and collaborative omics workshops, his group continues to shape how biochemical knowledge is extracted, shared, and understood.