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Machine learning directed discovery and optimisation of a platinum-catalysed amide reduction
Chemical Communications ( IF 4.3 ) Pub Date : 2024-11-12 , DOI: 10.1039/d4cc05273k
Eleonora Casillo, Benon P. Maliszewski, César A. Urbina-Blanco, Thomas Scattolin, Catherine S. J. Cazin, Steven P. Nolan

The discovery and optimisation of reaction conditions leading to the reduction of amides, a fundamental large-scale industrial reaction, is achieved using a machine learning (ML) platform and a platinum catalyst. The optimisation leads to the discovery of a new platinum-based catalytic system that displays unexpectedly high performance. The approach enables rapid and high conversions at ppm-level catalyst loadings.

中文翻译:


机器学习指导铂催化酰胺还原的发现和优化



使用机器学习 (ML) 平台和铂催化剂实现导致酰胺还原的反应条件的发现和优化,酰胺是一种基本的大规模工业反应。优化导致发现了一种新的铂基催化系统,该系统显示出出乎意料的高性能。该方法可在 ppm 级催化剂负载量下实现快速和高转化率。
更新日期:2024-11-12
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