Fig. 3: Descriptor correlations.
From: Machine learning assisted prediction of organic salt structure properties
Spearman correlation coefficients between target quantities and Coulomb matrix and crystal graph singular value descriptors for the four datasets of 1,3,5-triazine HCl CSP. The orange curve plots ρ for VDFT, blue curve plots ρ for hDFT and the green curve plots ρ for metal versus insulator from DFT. Descriptors 0 through 44 to the left of the vertical black line corresponds to Coulomb matrix descriptors while descriptors 45 through 500 correspond to the crystal graph singular value descriptors.
