From Table , it is seen that a higher percentage of incomplete reactions could be completed from the USPTO than the Reaxys ® reactions. This is very likely because a higher percentage of reactions in Reaxys ® were completed by ChemBalancer, as shown in Table , leaving higher difficulty for ChemMLM to predict missing molecules. Also, in general, the LHS species insufficient reactions were harder to be completed by this workflow compared with the RHS species insufficient reactions. of Reaxys ® were completed by the entire proposed method, from which the Reaxys ® percentage is an estimated number, since only 1% of LHS and RHS species insufficient reactions were sampled and fed to the ChemMLM model. Moreover, a small portion of the completed reactions are false positive completions, and those reactions could not be differentiated currently unless they were manually removed from the completed reactions.