"ErtlFunctionalGroupsFinder: automated rule-based functional group ..."

Sebastian Fritsch et al. (2019)

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DOI: 10.1186/S13321-019-0361-8

access: open

type: Journal Article

metadata version: 2020-05-30

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Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Achim Zielesny:
ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK). J. Cheminformatics 11(1): 37:1-37:8 (2019)

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