Other static structures may allow us to answer questions of different kinds (think, for instance, of solubility; energetic minima/maxima are often less-important than energeticallyinvariant structural features, such as ones corresponding to an "ability" of forming hydrogen bonds). Thus, chemistry may generally be perceived as the science which reduces dynamic molecular processes to static, informative molecular structures for the purpose of gaining desirable predictive power (Figure ). Some thoughts regarding harnessing TST to PL systems have been later expressed by Pauling. Trying to rationalize the catalytic "benefit" of enzymatic reactions, he claimed that the latter increase the relative concentration of reactive transition state species compared to corresponding enzyme-free reactions. Regardless of the practical implications for such claim, the motivation behind it may be understood based on the above discussion of TST: instead of bothering ourselves with a vast amount of information associated with the entire PL complex, we may focus on specific features associated with a single reactive structure. Thus, if we wish to quantify a given enzyme's catalytic efficiency, all we need to do is compare the relative concentrations of such species in both enzyme/enzyme-free scenarios. Needless to say, the assumption according to which enzymatic reactions take place via single, welldefined reaction paths may indeed be exposed to criticism; however, the same chemicalintuition-driven motivation recognized in the very foundation of TST is again seen to offer (which depends on the researcher's expectations) -the relationship between considered predictors and response variable is said to be causal. In the case considered here, coming up with some intuitive meaning for calculated regression coefficients would be rather difficult (see dedicated spreadsheet in the ESI). That, however, clearly does not mean that our calculated data is uninformative, or that it does not have casual implications on experimentally-measured binding affinities; the contrary, in fact, may easily be confirmed.