CITATION.cff

cff-version: 1.2.0
title: ErtlFunctionalGroupsFinder
version: 1.3.0.0
message: "If you use this software, please cite it as below and also cite the accompanying scientific publication referenced below."
type: software
authors:
  - family-names: "Fritsch"
    given-names: "Sebastian"
    orcid: "https://orcid.org/0000-0002-0368-700X"
  - family-names: "Neumann"
    given-names: "Stefan"
  - family-names: "Schaub"
    given-names: "Jonas"
    orcid: "https://orcid.org/0000-0003-1554-6666"
  - family-names: "Steinbeck"
    given-names: "Christoph"
    orcid: "https://orcid.org/0000-0001-6966-0814"
  - family-names: "Zielesny"
    given-names: "Achim"
    orcid: "https://orcid.org/0000-0003-0722-4229"
url: "https://github.com/JonasSchaub/ErtlFunctionalGroupsFinder"
doi: "10.5281/zenodo.10391831"
date-released: 2024-02-02
license: LGPL-2.1
references:
  - authors:
      - family-names: "Fritsch"
        given-names: "Sebastian"
        orcid: "https://orcid.org/0000-0002-0368-700X"
      - family-names: "Neumann"
        given-names: "Stefan"
      - family-names: "Schaub"
        given-names: "Jonas"
        orcid: "https://orcid.org/0000-0003-1554-6666"
      - family-names: "Steinbeck"
        given-names: "Christoph"
        orcid: "https://orcid.org/0000-0001-6966-0814"
      - family-names: "Zielesny"
        given-names: "Achim"
        orcid: "https://orcid.org/0000-0003-0722-4229"
    doi: "10.1186/s13321-019-0361-8"
    issue: 1
    journal: "J Cheminform"
    scope: "Cite this paper if you want to reference the general concepts of the software."
    title: "ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)"
    type: article
    volume: 11
    year: 2019