https://www.selleckchem.com/pr....oducts/4-hydroxynone
05 eV for the atomization energies (internal energy at 0 K, internal energy at 298.15 K, enthalpy at 298.15 K, and free energy at 298.15 K). Moreover, for the atomization energies, the results obtained an out-of-sample error nine times less than the same FNN model trained with the Coulomb matrix, a traditional coordinate-based descriptor. Furthermore, our results showed how limited the model's accuracy is by employing such low computational cost representation that carries less information about the molecular structure than the
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