Selective Host Molecules Obtained by Dynamic Adaptive Chemistry

AbstractUp till 20 years ago, in order to endow molecules with function there were two mainstream lines of thought. One was to rationally design the positioning of chemical functionalities within candidate molecules, followed by an iterative synthesis–optimization process. The second was the use of a “brutal force” approach of combinatorial chemistry coupled with advanced screening for function. Although both methods provided important results, “rational design” often resulted in time‐consuming efforts of modeling and synthesis only to find that the candidate molecule was not performing the designed job. “Combinatorial chemistry” suffered from a fundamental limitation related to the focusing of the libraries employed, often using lead compounds that limit its scope. Dynamic constitutional chemistry has developed as a combination of the two approaches above. Through the rational use of reversible chemical bonds together with a large plethora of precursor libraries, one is now able to build functional structures, ranging from quite simple molecules up to large polymeric structures. Thus, by introduction of the dynamic component within the molecular recognition processes, a new perspe