Enhancing interpretability in metabolomics: ranking metabolites by their impact on graph neural network predictions
A key step in the biological interpretation of untargeted metabolomics data is the ranking of compounds by importance, usually using statistical significance or impact on classification as the basis for importance assignment. However, current approaches treat metabolites as independent variables and rarely incorporat...
Francisco Traquete, C. Cordeiro, Marta Sousa Silva et al.
· BMC Bioinformatics · 0 citations