The result show that despite that these products are generated from a smaller set of reactants and thus overall diversity is slightly lower than that of USPTO, a relatively high diversity is maintained, see Figure . However, the scaffold diversity is higher among the predicted compounds as indicated by a lower percentage of the compounds can be described by the most common scaffolds compared to USPTO products (Figure right). This is also an indication the de novo compounds are also spanning a larger range of different scaffolds. This is in line with each scaffold for the predicted products on average describes fewer compounds (~2) compared to the scaffolds for USPTO products (~3). (Table ). Additionally, there is little overlap between the scaffolds found in USPTO and the predicted scaffolds as ~5% of the scaffolds of the predicted products is found in USPTO.