Fig. 1
From: Machine learning enables polymer cloud-point engineering via inverse design
Study framework. First, we train a machine-learning model to predict cloud point on the basis of the poly(2-oxazoline) structure, with varying ratios of four monomer units (building blocks) and molecular weights. Second, we demonstrate inverse design using the trained algorithm and particle-swarm optimization, predicting 17 polymer structures from user-defined cloud points. The model accommodates the inherent complexity of polymers over multiple length scales. The scatter plots for model training and inverse design correspond to Figs 3e and 4d, respectively
