The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.

Willighagen EL, Mayfield JW, Alvarsson J, Berg A, Carlsson L, Jeliazkova N, Kuhn S, Pluskal T, Rojas-Chertó M, Spjuth O, Torrance G, Evelo CT, Guha R, Steinbeck C

Open source

DOI: 10.1186/s13321-017-0220-4
Published: 2017 Jun 6
Container: Journal of cheminformatics
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1186/s13321-017-0220-4,
  title = {The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.},
  author = {Willighagen EL and Mayfield JW and Alvarsson J and Berg A and Carlsson L and Jeliazkova N and Kuhn S and Pluskal T and Rojas-Chertó M and Spjuth O and Torrance G and Evelo CT and Guha R and Steinbeck C},
  year = {2017},
  journal = {Journal of cheminformatics},
  doi = {10.1186/s13321-017-0220-4},
  url = {https://doi.org/10.1186/s13321-017-0220-4}
}

RIS

TY  - JOUR
TI  - The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
AU  - Willighagen EL
AU  - Mayfield JW
AU  - Alvarsson J
AU  - Berg A
AU  - Carlsson L
AU  - Jeliazkova N
AU  - Kuhn S
AU  - Pluskal T
AU  - Rojas-Chertó M
AU  - Spjuth O
AU  - Torrance G
AU  - Evelo CT
AU  - Guha R
AU  - Steinbeck C
PY  - 2017
JO  - Journal of cheminformatics
DO  - 10.1186/s13321-017-0220-4
UR  - https://doi.org/10.1186/s13321-017-0220-4
ER  -

APA

EL, W., JW, M., J, A., A, B., L, C., N, J., S, K., T, P., M, R., O, S., G, T., CT, E., R, G., & C, S. (2017). The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.. Journal of cheminformatics. https://doi.org/10.1186/s13321-017-0220-4

Source records

pubmed · retrieved 2026-09-26T13:34:45.040Z