The SC-AFIR systematically explores paths of structural transformations of molecules, complexes, clusters, crystals, and others by applying an artificial force . This simple forcebased algorithm can be used to search for structural transformations of any kind, including conformational, chemical bond, coordination bond, and hydrogen bond rearrangements . In addition, its combination with an efficient and numerically robust kinetics approach, the rate constant matrix contraction (RCMC) method , allows on-the-fly forward and backward kinetic simulations . These simulations provide a reaction path network representation (RPNR) of a chemical reaction by forming a network of paths connecting intermediates within a kinetically accessible region and those crossing the boundary between kinetically accessible and inaccessible regions . Such an RPNR proves not only the kinetic feasibility of predicted reactions but also the absence of side reactions, allowing the prediction of unknown chemical reactions. Its predictive power has been demonstrated through its successful use in the discovery of new methods in organic synthesis .