Based on the relationship obtained from LASSO regression, we chose commercially available reactants and synthesized salicylideneamine molecules. (Figure ). We used reactants with nitro and carboxylic acid for likely positive fragments. We did not select aliphatic hydroxyl groups because the reactant already has aromatic ring. We also excluded amino groups to prevent side reaction since salicylideneamine are synthesized by dehydration reaction between amino and carbonyl groups. For likely negative fragments, we used reactants with benzene rings and halogens. Since the reactant has already a phenyl ring, reactants with naphthyl ring were used to verify the induction effect of the benzene fragment. Considering these to be sufficient, we did not use reactant with aromatic OH.