Structure Searching of Derwent World Patent Index Chemical Fragmentation Codes

STNext can translate a structure into corresponding alphanumeric fragmentation codes and search them against the WPIX or WPIDS files via a script.

After drawing or importing a fragmentation code structure:

1. On the Structures page, click the ellipses (…) menu for the fragmentation code structure, and then select Generate FragCode Script.
   
   
   Note: Please see FCO Input Format: Supported and Unsupported Components for a complete list of supported and unsupported structure components.

2. You may edit the system-generated Script Name as long as it is not the same as a pre-existing file on the Scripts page, and then click the Generate Script button.
   
   

3. The system automatically converts a structure drawing into a fragmentation code search and prepares a search strategy in the form of an STN script which appears in the Edit Script window, where you may run the search (which also saves the script) in either the WPIX or WPIDS database or save the script for later use.
   
   Note: The validation check only covers STN commands and not the syntax of the script or the validity of fragmentation codes.
   
   

In addition, the Edit Script window can be used to modify the search to allow for substitution by:

• Removing negation codes

• Adding codes with counts (e.g., J012-J014 to consider several COOH substituents)

• Adding codes for derivatives (e.g., hydroxy to ether or ester)

Below is an example of a search script ran in WPIX.

In the display, the hit codes are highlighted in the CMC section (e.g., d kwic, d cmc).

To ensure that you receive correct results of your fragmentation code search, please see Critical Aspects for Your Search: Limitations and Best Practices.

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