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Updated: Aug 2, 2025

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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化学科学における新興パラダイムとしての生成モデル

Dylan M Anstine1, Olexandr Isayev1

  • 1Department of Chemistry, Mellon College of Science, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.

Journal of the American Chemical Society
|April 13, 2023
PubMed
まとめ

ジェネラティブモデリングは 化学逆設計のための強力な機械学習アプローチを提供し 望ましい性質を持つ新しい化合物を生み出します このレビューでは,重要な生成アルゴリズムを分析し,化学アプリケーションにおけるその可能性と課題を強調しています.

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