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Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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Algorithm for advanced canonical coding of planar chemical structures that considers stereochemical and symmetric

Shungo Koichi1, Satoru Iwata, Takeaki Uno

  • 1Graduate School of Information Science and Technology, University of Tokyo, Tokyo 113-8656, Japan.

Journal of Chemical Information and Modeling
|July 20, 2007
PubMed

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