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Predicting synthetic viability
DOI:10.1038/s44160-023-00297-4.png)
摘要
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Retrosynthesis has served as a playground for computer-aided design for many decades. Computer-aided methods are usually predicated on human-expert rules or learning algorithms that extract the rules from literature data. Now, an approach that bridges the gap between these computer-driven methods and the traditional, intuition-driven, 'chalk board' retrosynthetic methods is reported.
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20
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1.2K
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