We note that the MBH catalytic cycle is in many ways an ideal case for the proposed method. First of all, the family of molecules catalyzing the reaction (tertiary amines and phosphines) is quite simple in terms of functionality. One can easily imagine reactions requiring a much more complicated functionality of the catalyst. This affects the size and nature of the library of possible catalyst candidates, we need to test. It is very likely that some kind of iterative procedure in terms of updating the library will be necessary to implement in order to find something good enough that the genetic algorithm can take over. Second, this catalytic cycle is relatively simple (four steps in the mechanism) and no additives, acids, bases etc. is needed.