Fig. 7From: Chemoinformatics-driven classification of Angiosperms using sulfur-containing compounds and machine learning algorithmSchematic workflow for Angiosperms classification using sulfur containing compound (SCC) dataset. A The workflow is divided into three stages; (i) data collection and molecular fingerprinting of structural similarity based on Tanimoto score, (ii) clustering of metabolite pairs with Tanimoto score > 0.85, and (iii) hierarchical clustering. B Mathematical models supporting each stage described in (A)Back to article page