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Fig. 8 | Journal of Cheminformatics

Fig. 8

From: The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility

Fig. 8

Cross-validated performance (RMSE) of the top performing models (excluding models incorporating the melting point or lattice energy descriptor) where the crystal structure based 3D descriptors were incorporated (LHS), compared to the corresponding model using the conformer generator based 3D descriptors (RHS): a dataset = Avdeef_ExDPs_CS_True; b dataset = Klimenko_CS_True, CV = rt. All results are presented as per Fig. 5

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