Data augmentation When the front-end requests a dataset from the back-end, the data is simplified and returned as a table. First, we remove the serialized column that contains all the information about atom-level properties, since it is not needed initially by the front-end. The column names of the dataset are then changed such that they include additional information that can be utilized in the front-end (e.g., specific columns -for example, those containing fingerprint data -belong together, but are spread across the whole table). Additionally, the tool checks whether fingerprints are provided in the dataset, and automatically adds default fingerprints otherwise.