Our ML model aims to predict the solvation free energy and solvation enthalpy of activation (∆∆G ‡ solv , ∆∆H ‡ solv ) at 298 K for a reaction in a solvent. Solvation free energy (∆G solv ) and solvation enthalpy (∆H solv ) are the changes in Gibbs free energy and enthalpy when a molecule is transferred from an ideal gas to a solvent at a fixed condition. The ∆∆G ‡ solv and ∆∆H ‡ solv of a reaction-solvent pair are defined as the solvation free energy and solvation enthalpy differences between a transition state (TS) and reactant(s):