The structure and properties of complexes simulating molecular recognition

The main trends in the evolution of the concept of molecular recognition are examined. The possibility of using thermodynamic parameters for a quantitative characterisation of recognition and the effect of their relationships on the degree of recognition are analysed. Complexes, containing one or more hydrogen bonds, between macrocyclic compounds and metal ions, alkyl and alkylammonium derivatives, and various anions are characterised in detail as model compounds. The problem of competitive complexation in an aqueous medium is discussed. The role of computer-aided simulation of molecular recognition in applied studies relating to the design of biologically active compounds is assessed. The suitability of such a combination of experimental and theoretical studies, in which the models for molecular recognition could be constantly improved, is noted. 224 references.