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Presently calculated δd components versus reference (experimental or previously calculated) data for compounds in the training set (dark circles), test set (light circles), and out of the AD (white squares). Main deviations from reference values are for (A) propylene carbonate, (B) dimethyl sulfone, (C) formic acid, (D) tetrathiafulvalene, (E) thiourea, (F) diiodomethane, (G) resorcinol, (H) 1,1-dibromoethene, (J) 1,1,2,2-tetrabromoethane, and (K) tetraiodothiophene.
