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. 2024 Oct 23;7:0510. doi: 10.34133/research.0510

Fig. 5.

Fig. 5.

Prediction results of solubility and absorption wavelength with different solvents using NGNN. (A) Training curves of NGNN in the prediction of solubility. (B) Training curves of NGNN in the prediction of absorption wavelength. (C) The distribution of MAE in the prediction of absorption wavelength. (D) Violin plot of MAE distribution under different solvent data in absorption spectrum prediction. (E) Prediction results for different solvents. (F) The correlation between the predicted and experimental values of the absorption wavelength.