The maximal number of applicable templates we find is 16.3 for the ECFP model. To ensure that it is not just the average number of applicable templates for the target molecule (of the 46,695 unique templates), we apply all templates to all target molecules. The distribution of applicable templates in the test set for each target molecules are seen in the SI Figure 2, but on average can 281 templates be applied to the target. The network thus still provides a clear enrichment of applicable templates in the top prioritized templates.