LGB-stack: stacked generalization with LightGBM for highly accurate predictions of polymer bandgap
Recently, the Ramprasad group reported a quantitative structure–property relationship (QSPR) model for predicting the Egap values of 4209 polymers, which yielded a test set R2 score of 0.90 and a test set root-mean-square error (RMSE) score of 0.44 at a train/test split ratio of 80/20. In this paper...
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| Main Authors: | , , |
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| 格式: | Article |
| 語言: | English |
| 出版: |
2022
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| 在線閱讀: | https://hdl.handle.net/10356/161482 |
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