CAS 55 and PubChem, or elsewhere in literature and patents. These reaction products from predicted reactions might include some molecules never reported, but they were not de novo designed molecules, i.e. the rationally designed molecular structure based on their functionalities. The purpose for this step was not to design new molecules, but apply generalised bio-catalytic transformations to existing metabolic substrates. This may lead to some unknown products or intermediates, having potential to be used for drug discovery, or to synthesise some target drug molecules in the future. Here we do not claim that this method is recommending new products / substrates with a high degree of confidence in their practical usefulness or synthesizability.