For both gases we can predict the gas permeability with R 2 values higher than 0.9. The RMSE for N 2 and O 2 are 0.171 and 0.147, respectively. This demonstrates that we can predict all three gas permeabilities accurately with the random forest regression model. Now that we have established an accurate ML model to predict a polymer membrane's performance with respect to the Robeson upper bounds, we start designing new polymers with a GA and evaluate their performance on the fly with these ML models.