A mixture-aware 3D molecular representation model, Uni-Mix, predicts organic mixture viscosity and density with high held-out accuracy and captures non-monotonic mixing behavior.
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3D Molecular Representation Learning for Organic Mixtures: Viscosity and Density Prediction
A mixture-aware 3D molecular representation model, Uni-Mix, predicts organic mixture viscosity and density with high held-out accuracy and captures non-monotonic mixing behavior.