Structure Search

In Web of Science, you can:

  • Search for chemical compounds and reactions that match a structure query that you create using the Elemental drawing tool from Dotmatics Knowledge Solutions.

  • Search for data associated with compounds and reactions by entering your search terms in the Compound and Reaction text fields.

  • Search for compound or reaction data without doing a structure search by entering your search terms in the Compound Data and Reaction Data text fields.

Note: Searching for Compound and Reaction data in the Web of Science requires users to register and sign in to Web of Science. Signing in allows users to save structure and compound searches and create search alerts.


About the Structure Search Function

The Chemical Search page is divided into three sections:

When you create a structure search, the system may create two sets of results: a set of reaction records and a set of compound records. In this case, the same structure query is listed twice in the search history table. A substructure search for a compound might find 25 compounds and 10 reactions. The 25 compounds belong to one set and the 10 reactions to another set. You can save both sets to a save history file to use later. Any chemical structures that you created are also saved to the history file.

See also


Combining Structure and Data Searches

If you draw a chemical structure and enter terms in the Compound Data or Reaction Data fields, Web of Science will automatically apply AND logic to the query.

For example, if you draw a chemical structure and enter a biological activity term in the Compound Biol. Act. field, you will retrieve compounds and reactions that match the structure you drew and have the biological activity you specified. This assumes that you have selected both chemical indexes.


About Compound Data

If your institution subscribes to only the Index Chemicus index, then you will see only the Structure Drawing and Compound Data sections when you perform a Compound Data search and/or a Structure Drawing search. The system will not return any reaction records.

However, if your institution subscribes to both Index Chemicus and Current Chemical Reactions , then you will see the Reactions Data section as well as the two other sections.


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