How to Prepare a File for Upload to MolPort

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An MDL SD file format has become a de facto standard for exchanging with chemical catalogues. This format is accepted by most online chemical databases. It is supported by a wide array of chemical software and it stores both chemical structure and complement information (catalogue details: catalogue number, price). MolPort only supports upload of catalogues with structures in the MDL SD format (*.sdf). Does your company have a chemical catalogue as an Excel spreadsheet? Excel extensions MDL ISIS for Excel or Accord for Excel can be used to store and export MDL SD files (see reviews).

ChemAxon Kft. offers a stand-alone program for storing and managing chemical structure information - Instant JChem (IJC). This software is free when used on your desktop PC (see license on ChemAxon website). We created a ready-to-use project for IJC.< /p>

         1. Download Instant JChem;

         2. Install the Instant JChem;

         3. Download the environment we created for you;

         4. Extract files from the downloaded archive to a folder where the database will be stored;

         5. Open Instant JChem;

         6. Click File -> Open Project menu in the Instant JChem;

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         7. Select the folder where you saved downloaded files and choose the project OurCatalogues.

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A ready to use database will be loaded with a sample catalogue entry created.

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You can import you current catalogue into this new database. However, if the file you are importing does not contain chemical structures for your compounds, you will need to add them manually later.


2018 MolPort, v2.61, release date 09-11-2018 09:00 (+0200). All rights reserved.
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