Fig. 1: Constructing ML models to predict the melting properties of pure compounds.
From: Estimating the phase diagrams of deep eutectic solvents within an extensive chemical space
Parity plots corresponding to training and test data of ML models to predict the \({T}_{m,i}\) value: a RF; b XGB; and c MLP. Parity plots corresponding to training and test data of ML models to predict the \({\triangle }_{{fus}}{H}_{i}\) value: d RF; e XGB; and f MLP. Predicted g \({T}_{m,i}\) and h \({\triangle }_{{fus}}{H}_{i}\) values for the 110 selected compounds (60 HBAs and 50 HBDs). Source data are provided as a Source Data file.
