The vast majority of studies devoted to searching for activity descriptors usually consider a specific reaction proceeding on a variety of materials or active centers. The main goal of such studies is to select materials on which the considered reaction has the highest rate. Despite the current trends, it is also appropriate to consider the reverse problem, where the study concerns the interaction of a variety of absorbents on the surface of one catalyst or molecule. Such studies can be extremely important for controlling the surface composition and surface activity of various applications in various industrial processes. In addition to catalysis, an example of an applied problem that can be solved is selection of the optimal electrolyte for a particular electrode material in batteries or supercapacitors. Another practical application is binding of toxic impurities from solutions, especially binding of heavy metal ions. Such descriptors will make it possible to evaluate the efficiency of a particular sorbent for a range of ions.