Table 1 Chemical elements and their corresponding valencies included in the VQM24 dataset.

From: Quantum mechanical dataset of 836k neutral closed-shell molecules with up to 5 heavy atoms from C, N, O, F, Si, P, S, Cl, Br

Element

Valencies

C

4

N

3, 5 (NX)

O

2

F

1

Si

4

P

3, 5 (PX)

S

2, 4 (SX), 6 (SY)

Cl

1

Br

1

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