Tobias Kind

Defining the limits of plant chemical space: challenges and estimations

The paper estimates the size of plant chemical space using metabolomics and literature data, suggesting it may span millions of unique compounds, most of which remain unexplored.

MS2Prop: A machine learning model that directly generates de novo predictions of drug-likeness of natural products from unannotated MS/MS spectra

MS2Prop predicts drug-likeness of natural products from unannotated MS/MS spectra without requiring chemical structure annotation.

Leveraging a founder population to identify novel rare-population genetic determinants of lipidome

The paper identifies novel genetic determinants of lipidome variation in a founder population, highlighting rare alleles associated with specific lipid species and replicating known common loci.

A comprehensive plasma metabolomics dataset for a cohort of mouse knockouts within the international mouse phenotyping consortium

The paper provides a metabolomics dataset from 30 mouse gene knockouts and wildtypes, identifying 832 metabolites across multiple analytical methods.