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Algorithm for Advanced Canonical Coding of Planar Chemical Structures That Considers Stereochemical and Symmetric Information.
Shungo Koichi
Satoru Iwata
Takeaki Uno
Hiroyuki Koshino
Hiroko Satoh
Published in:
J. Chem. Inf. Model. (2007)
Keyphrases
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chemical structures
kernel function
high dimensional data