@article{FritschNeumannSchaubetal.2019, author = {Sebastian Fritsch and Stefan Neumann and Jonas Schaub and Christoph Steinbeck and Achim Zielesny}, title = {ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)}, journal = {Journal of Cheminformatics}, volume = {11}, pages = {37}, doi = {10.1186/s13321-019-0361-8}, year = {2019}, }