For all text-based representations of chemical reactions, molecular separator "." was replaced by the symbol "^" between all reaction components coming from the same molecular entry field in a data set (e.g. salt ions, hydrates). Input components of the reaction were always separated from the product by symbols ">>". For regression models the reaction yields were converted to labels in a range between 0.0 and 1.0. For classification models, reactions with yields equal to or below 5% were classified as failure and assigned a label of 0 and yields above 5% were considered as a success and labelled as 1.