Estimating solubility is a challenging task because it requires theoretical models that capture interactions within the solid (molecule-molecule) and solution (moleculesolvent) phases, as well as the transitions between them. This difficulty becomes more evident when accounting for factors such as solvent reorganization, electrostatic interactions, and environmental variables such as temperature, pressure, supporting electrolytes, pH, and polymorphism in a single model to assess the dissolution process. The quantum chemistry approach is accurate but highly time-consuming, especially when dynamics are included. Therefore, this method is not preferred for high-throughput screening. Empirical methods and molecular simulations are used to study longer time scales, but their accuracy and reliability remain inadequate for multi-phase studies .