Machine Learning Approach to Polymerization Reaction Engineering: Determining Monomers Reactivity Ratios

Tung Nguyen, Mona Bavarian

Here, we demonstrate how machine learning enables the prediction of comonomers reactivity ratios based on the molecular structure of monomers. We combined multi-task learning, multi-inputs, and Graph Attention Network to build a model capable of predicting reactivity ratios based on the monomers chemical structures.

Knowledge Graph

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