Fig. 5
From: Reaction rebalancing: a novel approach to curating reaction databases
Examples for incorrect imputations with the rule-based method. Original database entries are shown in black, imputed compounds in red. A An erroneous reaction from USPTO, with \(\Delta = \{{O}:1,{Q}:0\}\), representing a sequence of dehydration and reduction reactions. B A correctly rebalanced reaction from Jaworski dataset that remains uncertain due to the presence of Hydrogen on the product side. C False imputation in Jaworski dataset where the product is mistakenly standardized as RMgH instead of \(\hbox {RMg}^{+}\). D An error in the rebalanced reaction in Golden dataset, due to \({\hbox {HNO}_{2}}\) being incorrectly identified instead of \({\hbox {HNO}_{3}}\) on the reactant side