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Updated: May 7, 2026

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大規模な材料のスクリーニングのための普遍的な機械学習アルゴリズム

George S Fanourgakis1, Konstantinos Gkagkas2, Emmanuel Tylianakis3

  • 1Department of Chemistry , University of Crete , Voutes Campus , GR-70013 Heraklion , Crete , Greece.

Journal of the American Chemical Society
|February 5, 2020
PubMed
まとめ

機械学習 (ML) モデルは,原子型を記述子として使用することで,金属有機フレームワーク (MOF) でのガスの吸収をより正確に予測します. このアプローチは,より少ないトレーニングデータを必要とし,新しい材料により普遍的に適用できます.

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Random Sampling Method

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