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Table 1 Progress of mechanism models in solubility prediction

From: Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms

Parameters Methods References
Solubility Hildebrand and Hansen solubility parameters [8]
Solubility Fitted equations, such as GSE [24, 25]
Solubility COSMO-RS [19,20,21,22]
Solubility First-principles prediction [13, 14]
Entropy of mixing Flory–Huggins model [9, 10]
Activity coefficient NRTL, UNIQUAC, UNIFAC [16,17,18]
Dynamic evolution MD [23]