About this database

This website is hosted by the Arctic Monitoring and Assessment Programme (AMAP) Secretariat and maintained by members of the AMAP Persistent Organic Pollutants (POPs) expert group.

For more information about AMAP, please refer to the main AMAP website.

We welcome any suggestions or input on this database, and please contact us for any technical issues - please contact the AMAP secretariat.

The original database was compiled for AMAP by Efstathios Reppas Chrysovitsinos and Matthew MacLeod, Department of Environmental Science and Analytical Chemistry (ACES) at Stockholm University for AMAP. The tables are also available in one macro-enabled Microsoft Excel workbook, which can be downloaded from here (12 MB, zip archive).

Notes about the data

• The database is an ongoing and evolving project, and all data is subject to be updated as more complete information is made available.
• Visitors to the website are invited to submit notes to the editors and administrator on any information that could be added or revised.
• The accuracy of the physiochemical property data of the compounds present in this database is subjected to the limitations of the QSAR models used to derive it and/or the availability of experimental data. Especially for organometallics, such as organotins, that do not fall within the applicability domain of the EPI Suite QSARs, EPI Suite estimates should be viewed as placeholders rather than as reliable data.
• All SMILES in this database follow the Canonical SMILES notation.
• In most cases, the abbreviated forms of compound names are not supported.
• Some compounds may have double entries. This is because there are different SMILES that result in different EPI Suite estimations

For the development of this database, the following tools where used:

• For creating SMILES from names:
  • PubChemPy http://pubchempy.readthedocs.io/en/latest/index.html
  • ChemSpiPy http://chemspipy.readthedocs.io/en/latest/#
• OpenBabel was used to convert all SMILES, or .mol files to the Canonical SMILES notation
  • http://openbabel.org/wiki/Main_Page
  • N M O'Boyle, M Banck, C A James, C Morley, T Vandermeersch, and G R Hutchison. "Open Babel: An open chemical toolbox." J. Cheminf. (2011),3, 33
• EPI Suite (US EPA, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11, United States Environmental Protection Agency, Washington, DC, USA, 2012) to obtain physiochemical estimations for all the compounds in the database https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface

The website was built by Hugo Ahlenius of Nordpil in 2017, and it is using the Mura CMS platform, with Bootstrap and jQuery for the frontend.