@article{FritschNeumannSchaubetal.2019, author = {Fritsch, Sebastian and Neumann, Stefan and Schaub, Jonas and Steinbeck, Christoph and Zielesny, Achim}, title = {ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)}, series = {Journal of Cheminformatics}, volume = {11}, journal = {Journal of Cheminformatics}, doi = {10.1186/s13321-019-0361-8}, pages = {37}, year = {2019}, language = {en} } @inproceedings{SchaubFritschNeumannetal.2019, author = {Schaub, Jonas and Fritsch, Sebastian and Neumann, Stefan and Steinbeck, Christoph and Zielesny, Achim}, title = {ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)}, series = {Konferenz: 15th German Conference on Cheminformatics GCC 2019, 3.-5. November 2019 in Mainz}, booktitle = {Konferenz: 15th German Conference on Cheminformatics GCC 2019, 3.-5. November 2019 in Mainz}, year = {2019}, language = {en} }