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Updated: Jan 18, 2026

Coulomb Explosion Imaging as a Tool to Distinguish Between Stereoisomers
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提高深度化学反应预测,通过先进的性和碎片表示来提高化学反应预测

Fabrizio Mastrolorito1,2, Fulvio Ciriaco3, Orazio Nicolotti2

  • 1Department of Biomedical Engineering, Institute for Complex Molecular Systems (ICMS) & Eindhoven AI Systems Institute (EAISI), Eindhoven University of Technology, Eindhoven, The Netherlands. f.grisoni@tue.nl.

Chemical communications (Cambridge, England)
|September 11, 2025
PubMed
概括

一种新的分子表示法,fragSMILES,在有机反应预测方面表现出色. 它在预测化学合成方面优于现有的方法,并准确地捕捉立体化学,推进计算机辅助规划.

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