(A) The predictive ability of CatKG, using the Pt-ethylene pair as a basis for deduction. (B) Results of predicting the catalytic relationships of large molecules using small molecules as the training set. The horizontal coordinate corresponds to the threshold of relative molecular mass, and only below this threshold can the molecule be included in the training set as a reactant/product. The red line denotes the results of a test set, in which only above the threshold as defined by the horizontal coordinate can the molecule be included. The blue line denotes the results without such threshold.