Chemometric analysis of Hymenoptera toxins and defensins: A model for predicting the biological activity of novel peptides from venoms and hemolymph

► A model was proposed to predict the biological activity of Hymenoptera peptides. ► The model was built based on structural properties of peptides from the literature. ► PCA with PLS regression was performed with chemometry of each peptide. ► Six groups related to the functional role of these peptides were observed.