Mol files and InChI keys

About mol files and InChI keys

Elsevier would like to enrich online articles by visualising and providing details of chemical structures you define as the main chemical compounds described in your article. For this purpose, mol files of the key compounds can be uploaded in EES. Please use your preferred drawing tool to export chemical structures as mol files and ensure that they are well defined and do not contain aromtic bonds, R-Groups or other variables.

Submitted mol files will be available for downloading from your online article on ScienceDirect. Furthermore, Elsevier will generate InChI keys from the mol files and include them in the online article, which increase the online searchability of your article e.g. in Google. InChI keys will also be used to link the article to additional data in Reaxys.

For enabling these features you must submit the Mol files for your key compounds during the submission process. This can be done when you are uploading your manuscript/table/figure files in EES. Please use your preferred drawing tool to export Mol files for the drawn chemical structures and ensure that they are well defined for the given article, complete and do not contain aromatic bonds R-Groups or other variables.

  • Mol File is a file format holding information about atoms, bonds, connectivity and coordinates of a molecule. Most chemical editing software programs can save your structure with the .mol extension.
  • An InChI Key is a condensed digital representation of the InChI (International Chemical Identifier) designed to allow for easy web searches of chemical compounds. It will be generated automatically from the given Mol file.