Training set

Code

Molecule

$E_{\exp }^1\left(V\right)$

Reference

TCNQ_1

+0.170

[18]

TCNQ_2

+0.110

[18]

TCNQ_3

+0.120

[18]

TCNQ_4

+0.012

[17]

TCNQ_5

−0.180

[17]

TCNQ_6

+0.130

[17]

TCNQ_7

+0.130

[17]