Fig. 3From: RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutionsAn example of the output of RegioSQM20. Tautomers are depicted with relative energies (only including those below 15 kcal/mol) along with an estimate of their reactivity based on the highest proton affinity. The highlighted atoms represent the predicted EAS sites within 1 kcal/mol (green circles) and the EAS sites within 3 kcal/mol (red circles)Back to article page