Development of a Computer-Guided Workflow for Catalyst Optimization. Descriptor Validation, Subset Selection, and Training Set Analysis.
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DOI: 10.1021/jacs.0c04715
Abstract: Modern, enantioselective catalyst development is driven largely by empiricism. Although this approach has fostered the introduction of most of the existing synthetic methods, it is inherently limited by the skill, creativity, and chemical intuition of… read more here.
Keywords: validation; catalyst optimization; development computer; catalyst ... See more keywords