Figure 8
D-MPNN derived activation energies applied to three different NN predicted pyrolysis pathways of acetate fruit flavours (ethyl acetate, butyl acetate, amyl acetate, hexyl acetate, cis-3-hexenyl acetate, isobutyl acetate, isoamyl acetate, 2-methylbutyl acetate, citronellyl acetate, 2-phenylethyl acetate). akcal/mol, #not predicted by NN.
