Extended Data Fig. 6: Physics-driven discovery in phase III.

a, The distribution of photostabilities of the 44 molecules synthesized through Phase II of the CLT campaign. b, The best 4 feature model for predicting T₈₀ from Phase II. Note the similarities of the TDOS features to those in the original physics based T₈₀ model c, The relative photostability of 3 molecules in CB, toluene, and decane, showing the improved photostability for all molecules in the absence of Dexter energy transfer, and that the improvement correlates with the TDOS at 4.0 eV. d, The impact of adding cyclooctatetraene (COT) triplet quencher to the CB solution (red) and chemically attaching it to DB_11_A_002 (blue). The structure shown is DB_11_A_002 (the highest performing molecule in Fig. 4a, the control), with the dodecyl side chain replaced with a hexyl-COT side chain. Results support the Dexter energy transfer hypothesis as explained in SI Section 6.