The RCT approach can be broken into 3 key steps described below and depicted in Figure 1. Reduction A 'reduced' copy of the polymer of interest is built which represents all desired monomer chemical environments. The number of atoms in this representative chain (referred to subsequently as its "size") must be chosen judiciously such that the size is large enough for middle monomers to outnumber terminal monomers (i.e. number of monomers ≥ 5), while still being small enough for evaluation of AM1-BCC with ELF10-generated conformations which may not always be possible for very large monomers. For this study an upper bound of 150 atoms was chosen, as this was the largest chain size supported by the OpenEye toolkit used to generate conformers and AM1-BCC charges.