Table 3.

Atom features.

Atom Feature	Description	Size
Atom type	One hot vector specifying the type of this atom	23
Radius	vdW radius and covalent radius of the atom	2
In rings	For each size of ring (3-8), the number of rings that include this atom	6
In aromatic ring	Whether this atom is part of an aromatic ring	1
Charge	Electrostatic charge of this atom	1