A method for discovering a new photoresist dissolvent includes obtaining input data defining a ligand material, estimating a reaction energy of a ligand exchange reaction in which a first ligand of a first complex including a first metal and the first ligand is exchanged with a second ligand, based on the input data, estimating a residual concentration of the first metal corresponding to the reaction energy based on a physical model, and verifying a photoresist dissolvent providing the second ligand based on the residual concentration.