Derwent Innovations Index Help

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Compound Search

Search the Derwent Chemistry Resource database for compound structures. All successful searches are added to the Search History table.

You can use the following Boolean Operators in all text fields: AND, OR, NOT.

There are three ways you can search for patent records related to compounds:

  • Enter search queries in the text fields.

  • Create a chemical structure in the Structure Details box.

  • Combine a text field search with a chemical structure search.

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Text Field Search

1. Enter your search terms in one or more search fields.

2. Click the Search button to go to the Compound Results page.

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Structure Details Search

  1. Select one of the following structure search modes. The default value is Substructure.

    • Substructure
    • Current Molecule Type

    • Similarity

  2. Open Accelrys JDraw and create a chemical structure image.

  3. Right-click on your chemical structure to display an atom/bond contextual menu in which you can modify Atom Properties or Bond Properties.

    The contextual menu also lets you copy, cut, or duplicate a chemical structure.

  4. Select the appropriate options to apply to your chemical structure.

  5. Click the Search button to go to the Compound Results page.

See Compound Structure Example for an illustration of a simple chemical structure.

See Structure Details Contextual Menu for a illustration of the right-click contextual menu.

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Structure Details and Text Field Search

  1. Click the AND option to the right of the "Combine structure and text" label.

  2. Follow the instructions in the Text Field Search Help topic for entering search terms in the fields.

  3. Follow the instruction in the Structure Details Search Help topic for creating a chemical structure.

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Structure Detail Options

Substructure

This option finds molecule records that contain the chemical structure drawn as a substructure within a larger structure.

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Current Molecular Type

Exact: Finds compounds that match the chemical structure exactly.

Isomer: Finds compounds that are geometric isomers and stereoisomers of the drawn chemical structure

Tautomer: Finds compounds that are tautomers of the drawn chemical structure

Relaxed Match: Derwent-invented term that is defined as a flexmatch search with no parameters set. In the same way that an isomer search is an exact match that ignores stereochemistry, the relaxed search is an exact match that ignores stereochemistry, hydrogen count, tautomerism, extra salt fragments, isotopes, etc. (that is, the loosest possible current molecule search).

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Similarity

A measure of how closely retrieved molecules resemble the drawn chemical structure. The degree of similarity can be defined by selecting values between 0 and 100. The higher the value, the more similarity. Default values are Min 80 and Max 100.

You can also specify that the retrieved records contain the same structural complexity as the drawn structure (Normal), more complexity than the drawn structure (Sub), or less complexity than the drawn structure (Super).

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Downloading the Java Plug-in

To create chemical structures in Derwent Innovations Index, you must be able to use the Accelrys JDraw applet. If you cannot see the applet when you access the Compound Search page, then you must download Java to your machine in order to create chemical structures.

  1. See our System Requirements to make sure your machine supports structure searching.

  2. Click here http://www.java.com/en/download/ to download Java.

  3. Click the Free Jave Download button.

  4. Click the Agree and Start Free Download button to acknowledge that you have read and accepted the terms of the end user license agreement.

  5. From the File Download dialog, click the Run button to download a file called JavaSetup6u29.exe.

    Alternatively, you can click the Save button to save the file to your hard drive or to your desktop, and then later run the program.

  6. Run the JavaSetup6u29.exe program.

  7. A series of Java Setup dialogs will appear. Follow the setup prompts to install the plug-in.

  8. Close your Web browser.

  9. Open a new Derwent Innovations Index session. You should now be able to see the Accelrys JDraw applet from the Compound Search page.

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How to Enable Java on Your Machine?

If you still cannot see the Accelrys JDraw applet after you download Java, you may have to enable Java on your computer.

Go to this Web site for instructions on how to enable Java.

http://java.com/en/download/help/enable_panel.xml

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Copying and Pasting Chemical Structures

You can copy a chemical structure from the Compound Results and Compound Full Record pages, and then paste the item in the Structure Details box. You can also copy and paste a chemical structure that you created in other drawing tools, such as Accelrys Draw, ISIS Draw, and ChemDraw.

  1. Right-click on a chemical structure from a Compound Results or Compound Full Record pages to open a contextual menu.

  2. Select the Copy option.

  3. Return to the Compound Search page.

  4. In the Structure Details box, right-click to open a contextual menu.

  5. Select the Paste option. This action copies the structure to the Structure Details box.

  6. Make any necessary changes to the structure, and then click the Search button.

Note: You can save all compound structure searches to the Search History page and later modify and run them to create new chemical structures.

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Java Plug-in

To create compound structures in Derwent Innovations Index, you must be able to use the Accelrys JDraw applet. If you cannot see the applet when you access the Compound Search page, then you must download Java to your machine in order to create chemical structures.

See Downloading the Java Plug-in on this Help page for information on how to perform the download.

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How to Enable Java on Your Machine?

If you still cannot see the Accelrys JDraw applet after you download Java, you may have to enable Java on your computer.

Go to this Web site for instructions on how to enable Java.

http://java.com/en/download/help/enable_panel.xml

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What is Accelrys JDraw?

Accelrys JDraw enables you to electronically create and insert chemical structures into the Structure Details box on the Compound Search page. You can use this tool to render structures in 2D and 3D views.

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Technical Support

For questions regarding these instructions, contact Technical Support.

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Compound Searching System Requirements
  • Windows XP or Windows 7
  • Internet Explorer 8 or 11
© 2017 Clarivate AnalyticsLast modified: 11/30/2017