SPOCK.

Manu Suvarna1,2, Rubén Laplaza3,2, Romain Graux4,2

  • 1Department of Chemistry and Applied Biosciences, Institute for Chemical and Bioengineering, ETH Zurich, Vladimir-Prelog-Weg 1, 8093 Zurich, Switzerland.

ACS catalysis
|May 8, 2025
PubMed
概括

这项研究介绍了SPOCK (火山动力学系统碎片回归),这是一个用于在催化中构建和验证火山图表的自动化工具. SPOCK减少了人类的偏见,并揭示了用于合理催化剂设计的新型描述器-性能关系.

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