Elsevier

Can I use Mol files and InChI keys in my submission?

Last updated on April 11, 2022

Chemical formulas can be easily uploaded as part of the submission process. The two key formats are Mol files and InChI. 

  • Mol file format holds information about atoms, bonds, connectivity and coordinators 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.

To upload your Mol files and InChI keys, ensure that:

  • Your chemical structures are well defined for the given article and complete.  
  • They don’t contain aromatic bonds, R-Groups or other variables.

How?

You can use your preferred drawing tool to export Mol files for the drawn chemical structures.  Attach the Mol files during the submission of your manuscript.  

If your submission is accepted for publication:

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

 

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