Developing Pharmaceutically Relevant Pd-Catalyzed C-N Coupling Reactivity Models Leveraging High-Throughput Experimentation.
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DOI: 10.1021/jacs.5c00933
Abstract: This manuscript presents machine learning models for Pd-catalyzed C-N couplings constructed using a large, pharmaceutically relevant, structurally diverse dataset (4204 unique products) generated de novo using high-throughput experimentation. The dataset generation was enabled by the… read more here.
Keywords: developing pharmaceutically; high throughput; pharmaceutically relevant; throughput experimentation ... See more keywords