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Expert system for elucidation of structures of organic compounds (ESESOC)

—Algorithm on stereoisomer generation

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Abstract

An algorithm for enumeration of stereoisomers due to asymmetric carbon, C = C double bond and so on has been developed. It consists of three steps. The output of stereoisomers can be represented by 2.5-dimensional connection table.

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Authors and Affiliations

  1. Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 130022, Changchun, China

    Hao Junfeng, Xu Lu & Hu Changyu

Authors
  1. Hao Junfeng
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  2. Xu Lu
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  3. Hu Changyu
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Corresponding author

Correspondence to Xu Lu.

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Hao, J., Xu, L. & Hu, C. Expert system for elucidation of structures of organic compounds (ESESOC). Sc. China Ser. B-Chem. 43, 503–515 (2000). https://doi.org/10.1007/BF02969496

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  • DOI: https://doi.org/10.1007/BF02969496

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