Table 5.

Mean node accuracy obtained for the classification of atomic features

Input features	Predicted features	Mean accuracy $\uparrow$ (%)
Atom type Atom type + #hydrogens Atom type + #hydrogens + in ring Atom type + #hydrogens + in ring + is aromatic	Number of neighbors Number of neighbors Number of neighbors Number of neighbors	99.99 100 100 100
Atom type Atom type + #neighbors Atom type + in ring Atom type + #neighbors + in ring Atom type + #neighbors + in ring + is aromatic	Number of hydrogens Number of hydrogens Number of hydrogens Number of hydrogens Number of hydrogens	91.76 92.67 93.08 93.57 98.00
Atom type Atom type + in ring	Is aromatic Is aromatic	92.87 94.64