CITATION.cff

cff-version: 1.2.0
message: Please cite the following article when using this software.
type: software
version: 2.9
date-released: 2023-08-21
title: 'cdk/cdk: CDK 2.9'
url: https://zenodo.org/record/8270947
doi: 10.5281/ZENODO.8270947
identifiers:
  - type: doi
    value: 10.5281/ZENODO.8270947
  - type: url
    value: https://zenodo.org/record/8270947
preferred-citation:
  authors:
    - family-names: Willighagen
      given-names: Egon L.
    - family-names: Mayfield
      given-names: John W.
    - family-names: Alvarsson
      given-names: Jonathan
    - family-names: Berg
      given-names: Arvid
    - family-names: Carlsson
      given-names: Lars
    - family-names: Jeliazkova
      given-names: Nina
    - family-names: Kuhn
      given-names: Stefan
    - family-names: Pluskal
      given-names: Tomáš
    - family-names: Rojas-Chertó
      given-names: Miquel
    - family-names: Spjuth
      given-names: Ola
    - family-names: Torrance
      given-names: Gilleain
    - family-names: Evelo
      given-names: Chris T.
    - family-names: Guha
      given-names: Rajarshi
    - family-names: Steinbeck
      given-names: Christoph
  doi: 10.1186/s13321-017-0220-4
  identifiers:
    - type: doi
      value: 10.1186/s13321-017-0220-4
    - type: url
      value: http://dx.doi.org/10.1186/S13321-017-0220-4
    - type: other
      value: urn:issn:1758-2946
  title: >-
    The Chemistry Development Kit (CDK) v2.0: atom typing, depiction,
    molecular formulas, and substructure searching
  url: http://dx.doi.org/10.1186/S13321-017-0220-4
  database: Crossref
  date-published: 2017-06-06
  year: 2017
  month: 6
  issn: 1758-2946
  issue: '1'
  journal: Journal of Cheminformatics
  languages:
    - en
  publisher:
    name: Springer Science and Business Media LLC
  type: article
  volume: '9'