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Updated: May 30, 2025

A Web Tool for Generating High Quality Machine-readable Biological Pathways
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使用它们预测的合成途径预测分子的价格

Massina Abderrahmane1, Hamza Tajmouati1, Vinicius Barros Ribeiro da Silva1

  • 1Iktos, 65 rue de Prony, 75017, Paris, France.

Molecular informatics
|January 31, 2025
PubMed
概括

预测新型分子的成本对于药物发现至关重要. 本研究介绍了RetroPriceNet,这是一种深度学习模型,使用合成路径和起始材料成本估计复合价格,优于现有方法.

关键词:
深度学习是一种深度学习.分子价格预测和预测复杂合成的复杂合成合成可访问性 合成可访问性

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