A gradient-boosting classifier trained on 2,231 polymer-solvent pairs achieves ROC-AUC 0.85 (polymer-level) and 0.91 (solvent-cluster-level) for chemical resistance, with feature analysis highlighting crystallinity, density, and polarity.
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Machine Learning for Polymer Chemical Resistance to Organic Solvents
A gradient-boosting classifier trained on 2,231 polymer-solvent pairs achieves ROC-AUC 0.85 (polymer-level) and 0.91 (solvent-cluster-level) for chemical resistance, with feature analysis highlighting crystallinity, density, and polarity.