An ensemble neural network using PCA and quantile transformation predicts GWP100 for 207 refrigerants from molecular descriptors, with the RDKit model reaching RMSE 481.9 and R2 0.918.
Electricity savings and greenhouse gas emission reductions from global phase-down of hydrofluorocarbons,
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Deep Learning for GWP Prediction: A Framework Using PCA, Quantile Transformation, and Ensemble Modeling
An ensemble neural network using PCA and quantile transformation predicts GWP100 for 207 refrigerants from molecular descriptors, with the RDKit model reaching RMSE 481.9 and R2 0.918.