In the preceding sections, we have postulated that polarizability and HOMO-LUMO gap are uncorrelated if a large enough subset of the CCS is considered. This law can now be translated to the domain of organic photodetectors: since HOMO-LUMO gap and polarizability are generally independent, it should be possible to design a photodetector with a given detection peak having an arbitrary work function. Alternatively, if matching of electrochemical properties of different systems is the goal, it should be possible to design organic photodetectors with each having arbitrary optical detection windows, yet having the same effect on the work function of electrodes. To demonstrate this statement, we use a dataset generated by Xu et al. , who employed a self-improving Bayesian search to predict possible photodetector molecules in a large subset of CCS. The selection criterion for possible photodetectors was based on both HOMO-LUMO gap and singlettriplet energy gap, which were evaluated from ground state DFT and TD-DFT calculations, respectively. From all predicted molecules having a donor and an acceptor site (DA structures), we have only selected those cases which have the same atom types as QM7-X molecules (see also in Table ), leading to a total of 5, 311 structures. Using the atomic additive model described in Sec. 3.1, we have estimated the polarizabilities of the selected structures; the plot of the polarizability versus HOMO-LUMO gap is shown in the top panel of Fig. . Here, one can see that most structures are found in a relatively extended region having ∆E HL between 3 and 5 eV and α between 200 and 400 a.u., with the possibility to find outliers in all directions around this cluster. In particular, if a high shift in the work function is desired, there appear to be several good candidates with varying optical absorption ranges (see bottom of the graph).