8.19 Chemical Structure Searching
Posted by Katrina Vuong on 22 April 2018 07:36 PM
LabArchives gives you the ability to search chemical structures that are in your notebook. This feature is located in the Advanced Search, which allows you to search exact chemical structures and substructures by drawing the molecule or search in terms of SMILES.
So long as you have chemical structures stored in your notebook in the form of a chemical structure file or in our Chemical Sketcher widget, you will be able to search for these structures using the Chemical Substructure search tool.
How to search:
Open Advanced Search by clicking on the downward triangle. At the bottom of the Advanced Search window, you will see the SMILES search field, as well as the Draw Structure button.
Click on the yellow magnifying glass icon to execute your search.
There are several chemical structure file types (including MOL and ChemDraw files) that can be searched using the Substructure search feature. Additionally, any Chemical Structure
List of File Types that can be Searched:
For more information or assistance with Open Babel, click here.