ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)
| Author: | Sebastian Fritsch, Stefan Neumann, Jonas Schaub, Christoph Steinbeck, Achim Zielesny |
|---|---|
| DOI: | https://doi.org/10.1186/s13321-019-0361-8 |
| Parent Title (English): | Journal of Cheminformatics |
| Document Type: | Article |
| Language: | English |
| Date of Publication (online): | 2019/09/09 |
| Year of first Publication: | 2019 |
| Publishing Institution: | Westfälische Hochschule Gelsenkirchen Bocholt Recklinghausen |
| Release Date: | 2019/09/09 |
| Volume: | 11 |
| Pagenumber: | 8 |
| First Page: | 37 |
| Departments / faculties: | Institute / Westfälisches Institut für Gesundheit |
| Licence (German): |
