to yield what we call transform descriptors (TDs, Equation ). In contrast, other approaches most often, albeit not explicitly, use e.g., one-hot-encoding, averages, or sums of all component features, even when used in neural network-based encodings. Overall, this method worked well with the available small dataset in categorizing reactions of the same type simply by using easy to calculate descriptors, such as those in Table . Of further note is that no reaction mapping or labeling of certain atom types of groups of reaction components were made.