“…The CAMD approach builds on methodologies that solve two problems: the “forward problem” relies on semiempirical quantitative structure–property relationships (QSPRs) to predict properties given molecular structures, while the “backward problem” chooses optimal molecules from the space of theoretically possible chemical structures given target properties. These two problems represent different sides of the CAMD puzzle and have attracted significant attention, especially in the context of specific applications, including the design of alternative refrigerants, − heat transfer fluids, − extraction solvents, − polymer repeating units, − mixtures, − reaction solvents, − ionic liquids, ,− and pharmaceutical solvents. , …”