𝐴 𝑛 ; 𝑛 = 0 -4 (eV) 𝜃 𝑚𝑖𝑛 (degrees) 𝑆 𝜃 (JK -1 mol -1 ) : List of the 28 screened polymers (shown in green in Fig. ) with the calculated localization lengths (𝐿𝐿) at the band edge and the average room temperature mobilities (〈𝜇〉 300𝐾 ), in order of the highest to lowest 〈𝜇〉 300𝐾 . SRU of each polymer is represented in terms of the monomer indices given in column 1 of Table . 𝑛 𝑆𝑅𝑈 represents the number of monomer fragments in the SRU; 𝛥𝐸 𝑡𝑢𝑛𝑛𝑒𝑙 represents the average tunneling barrier, computed by taking the difference between 𝑚𝑎𝑥{𝜖} and mean of the on-site energies of all other monomers in the SRU; 1 𝜏 𝑒𝑓𝑓 represents the effective coupling strength, computed by taking the difference between the largest on-site energy and the highest localized state energy (hole-transport) for a particular chain conformation, followed by averaging them over all chain conformations; 1 〈𝑆 𝜃 〉 is the mean torsional entropy per monomer pair in the SRU; 𝐶𝐶𝐹 is the acronym for the combined coupling fluctuation of the SRU = [∑ (𝜎 𝜏 𝑘,𝑘+1 /〈𝜏 𝑘,𝑘+1 〉)