An important question is to what extent these linear analogies in abstract latent space will provide imprints on real chemical observables. For instance, one can intuitively expect that chemical observables that are reasonably well described by a quasilinear model in this organized latent space will display similar behaviour. Remarkably, it is possible to extract tangible relations for chemical observables based on fairly general assumptions. Consider an atom-wize chemical observable that can be obtained as a function f (x) of its chemical composition or atomic embedding vector, e.g. C-NMR shifts, either from an end-to-end or transfer learning 62 point of view. Our first assumption is that this function f (x) should be sufficiently smooth over each individual functional group class, so one can expand the function around the average x, or 0th order embedding vector x (0) for that functional group