Software license

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

Common Citations

Kim, Sunghwan et al. “PubChem 2025 update.”
Nucleic Acids Res., vol. 53,D1 (2024): D1516–D1525. doi:10.1093/nar/gkae1059

JSmol: an open-source HTML5 viewer for chemical structures in 3D.
http://wiki.jmol.org/index.php/JSmol

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Wishart DS, Tzur D, Knox C, et al., HMDB: the Human Metabolome Database.
Nucleic Acids Res. 2007 Jan;35(Database issue):D521-6.17202168

Wishart DS, Knox C, Guo AC, et al., HMDB: a knowledgebase for the human metabolome.
Nucleic Acids Res. 2009 37(Database issue):D603-610. 18953024

Wishart DS, Jewison T, Guo AC, Wilson M, Knox C, et al., HMDB 3.0 — The Human Metabolome Database in 2013.
Nucleic Acids Res. 2013. Jan 1;41(D1):D801-7. 23161693

Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, et al., HMDB 4.0 — The Human Metabolome Database for 2018.
Nucleic Acids Res. 2018. Jan 4;46(D1):D608-17. 29140435

Wishart DS, Guo AC, Oler E, et al., HMDB 5.0: the Human Metabolome Database for 2022.
Nucleic Acids Res. 2022. Jan 7;50(D1):D622–31. 34986597

SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules. doi:10.1093/nar/gkz382