Any dataset analyzed stem most often from external sources and had to be curated and normalized to fit the calculation pipeline. The most common freely accessible one is USPTO dataset. The dataset curation was done to minimize size as much as possible, keeping all relevant information: reaction_(smiles), yield, an internal ID, and, if available also experimental procedure, reagents, catalysts, solvents, citation, other conditions. The transform descriptors (TD's) were then calculated using the following sequence: