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No electron left behind: a rule-based expert system to predict chemical reactions and reaction mechanisms
Predicting the course and major products of arbitrary reactions is a fundamental problem in chemistry, one that chemists must address in a variety of tasks ranging from synthesis design to reaction discovery. Described here is an expert system to predict organic chemical reactions based on a knowled...
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| Main Authors: | , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2009
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2758223/ https://ncbi.nlm.nih.gov/pubmed/19719121 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci900157k |
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