Fig. 9

Cross-validated performance (RMSE) of the top performing models for all scenarios where they incorporated the melting point (MP) descriptor (LHS), compared to the corresponding model which didn’t include the MP descriptor (RHS): a dataset = Avdeef_ExDPs_Cal_CS_True; b dataset = Avdeef_ExDPs_Cal_CS_False; c dataset = Klimenko_CS_True, CV = rt; d Klimenko_CS_False, CV = rt. All results are presented as per Fig. 5