Table 1. Chemical Property Input^a.

types of atoms	C, N, O, F, P, S, Cl, Br, I
formal charge	0
maximum number of atoms	69

^aIt should be pointed out that, in order to avoid the overfitting in the model, the database acquired was split into train, test, and validation sets. 60% of the database was allocated to train, following 20% for test and 20% for validation.