Figure 3. Design process of virtual polymers. Colors of Ri represent different substructures. a. Splitting polyesters into diacids and diols, where Di and Ai represent the diol and the diacid, respectively. b. De-duplicating the molecules with same structure that are generated during splitting. c. Exhaustive combination of diol and diacid into hypothetical polyesters. d. Prediction of T g for virtual polyesters by using the as-developed QSPR model. e. Examples of hypothetical polyesters.