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ChemIDplus Frequently Asked Questions

What sources do you use to create ChemIDplus?

ChemIDplus is created from more than 100 sources. The core sources of substance records correspond to those substances that are cited in one or more of the National Library of Medicine (NLM) databases.

Other sources include the Canadian Domestic Substances List (DSL), European EINECS, EPA TSCA Inventory, the SUPERLIST set of regulatory resources, and other internet databases such as EPA Substance Registry System, the FDA Drugs@FDA system, IARC, NIAID, and NIST Chemistry WebBook. A full list of Locators can be found here (http://sis.nlm.nih.gov/chem/alllocators.html).

How often is ChemIDplus updated?

ChemIDplus is updated continuously.

What is the difference between ChemIDplus Lite and Advanced?

ChemIDplus Lite is designed for simple searching by name or registry number and returns basic information about a chemical and provide links to other resources. Clicking on the Full Record in a ChemIDplus Lite result shows a substance's structures, but does not allow drawing or searching on structures.

ChemIDplus Advanced provides links to the same resources as the Lite version. In addition, it lets users draw their own structures and perform chemical similarity and substructure searches and search by any combination of name, registry number, molecular formula, classification code, locator code, toxicity, physical property, structure, or molecular

Search results done in either ChemIDplus Lite or ChemIDplus Advanced show the name, registry number, molecular formula, classification code, locator code, toxicity, physical property, structure, and molecular weight. For toxicity and physical property data, search terms are highlighted within the Advanced table results.

Why do I get a message about the Marvin Applet when I start ChemIDplus?

The primary structure editor in ChemIDplus is "Marvin for JavaScript" created by ChemAxon. You will need Internet Explorer 9 or above for this. Other browser compatibility information is found here.

If you have an older browser select "Marvin applets incl. 3D" from the pull down menu in the Structure area of the page.

When Marvin for Java first loads, you must answer whether to trust it "this time or always". If "always" is selected, it will not ask each session.

Marvin is also used to display structures such as PNG (Portable Network Graphics) files in our results page so that a plug-in is not needed to view results.

Why do I get a warning about loading Java when I start ChemIDplus?

The Java applet Marvin requires that the latest version of Java be installed on your computer. If you don't have the latest version you will be prompted to download it. For security reasons, it is recommended that you get the latest version.

How do I draw or edit structures with Marvin in ChemIDplus?

"Marvin for JavaScript" is the default structure editor.

Click on the "Draw" button in the "Structure" box in ChemIDplus Advanced to launch the structure editor.

The editor includes chemical drawing tools and help files. Changes you make in MarvinSketch show up immediately in the ChemIDplus Advanced "Structure" box after you hit the "Close" button. You may then select the type of Structure search, add any qualifying data ranges (such as molecular weight), and click on the Search button on the top or bottom of the page.

How do I draw or edit with Chime and Accelrys Draw?

Chime was a free chemical display application that has been phased out. ChemIDplus no longer supports it. Accelrys Draw - No Fee is a structure drawing package available. You will need to register to download Accelrys Draw - No Fee. You may have difficulties with the applications in Firefox and Chrome.

  • From within "Marvin for JavaScript", click on Export in the upper left corner.
  • Then choose "MDL Molfile" from the format pull down menu.
  • Then click the Download button.
  • You can then transfer the file to AccelrysDraw. Accelrys Draw has a series of chemical drawing tools and help files available

How do I download a single structure Mol file in ChemIDplus?

If Marvin is loaded in your computer click "Transfer Structure to query page" from a search results page. This moves the structure into the Structure box. Click on the Structure box to start MarvinSketch. Then chose File > Save As > Files of Type > MDL Molfiles (*.mol) format.

  • Molfile
    • Click "Transfer Structure" from a search results page. This moves the structure into the ChemIDplus Structure box.
    • Click the Edit button in the Structure box
    • "Marvin for JavaScript" will open
    • Click on Export in the upper left corner.
    • Then choose "MDL Molfile" from the format pull down menu.
    • Then click the Download button.
  • Image
    • Click "Transfer Structure" from a search results page. This moves the structure into the ChemIDplus Structure box.
    • Click the Edit button in the Structure box
    • "Marvin for JavaScript" will open
    • Click on Export in the upper left corner.
    • Click on the Image tab
    • Select format and specifications
    • Click Download button. Note: The Download button does not work if you are using IE9 or earlier.
  • Image Quick Save (Lite or Advanced)
    • Right click on image of structure on the page
    • Click Save picture as
    • Select File name, type, and location

How do I view a structure in ChemIDplus?

In ChemIDplus Lite click the "Full Record" button. The structure will be at the top of the new page that appears along with the structure descriptors for InChI, InChIKey, and SMILES.

The ChemIDplus Advanced version automatically displays the structure at the top of the results page. Clicking on the "Enlarge Structure" link opens a window for viewing or manipulating 2D or 3D images of the structure.