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Updated: Jan 5, 2026

Determination of the Gas-phase Acidities of Oligopeptides
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Determination of the Gas-phase Acidities of Oligopeptides

Published on: June 24, 2013

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グラフコンボーションニューラルネットワークを用いたpKa酸の値の迅速かつ正確な予測

Rafał Roszak1,2, Wiktor Beker1,2, Karol Molga1

  • 1Institute of Organic Chemistry , Polish Academy of Sciences , ul. Kasprzaka 44/52 , 01-224 Warsaw , Poland.

Journal of the American Chemical Society
|October 22, 2019
PubMed
まとめ

有機分子酸性の予測は 合成計画に不可欠です グラフコンボリューションニューラルネットワーク (GCNN) は,非水性溶媒のC-H酸性を正確に推定し,化学者が反応予測を助ける.

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