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Updated: Feb 19, 2026

A Protocol for Computer-Based Protein Structure and Function Prediction
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機械学習による構造的混乱を解き放つ:等原子三次相ABCの構造予測とポリモルフィズム

Anton O Oliynyk1,2, Lawrence A Adutwum2, Brent W Rudyk2

  • 1Department of Chemistry, University of Houston , Houston, Texas 77204, United States.

Journal of the American Chemical Society
|November 14, 2017
PubMed
まとめ

この研究は,元素データを用いて三元化合物の結晶構造を予測する機械学習モデルを導入します. このモデルは構造を正確に予測し,実験合成によって検証された構造不確実性の領域を特定します.

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