To encode these global electronic properties, each property of each complex is shared among atoms in proportion to their atomic numbers. We tested several combinations of embeddings on which were predicted to be promising SCO complexes, were further calculated using the TPSSh method with the D4 dispersion correction. Finally, 338 out of 560 complexes were labeled as Fe(II) SCO complexes. Evidently, the application of Fe_NNPs greatly expedites the entire design workflow via decreasing the computational load by 75% but without significant loss in accuracy in this qualitative analysis.