Harnessing Shannon entropy-based descriptors in machine learning models to enhance the prediction accuracy of molecular properties

Overview of attention for article published in Journal of Cheminformatics, May 2023

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RT @hirokaneko226: SMILES, SMARTS, InChiKeyのような文字列から物性・活性予測を行う際のシャノンエントロピーに基づく記述子の論文。SMILESからシャノンエントロピー記述子にすることによる予測精度の向上を確認。さらに他の記述子の組み合わせ…

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