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Query Chem: a Google-powered web search combining text and chemical structures
Justin Klekota1, Frederick P Roth, Stuart L Schreiber
1Howard Hughes Medical Institute 12 Oxford Street, Cambridge, MA 02138, USA. Klekota@gmail.com
Bioinformatics (Oxford, England)
|May 5, 2006
Summary
Query Chem is a web tool for searching chemical structures and related information online. It allows users to find data without common names, enhancing chemical structure searches.
Area of Science:
- Computational chemistry
- Cheminformatics
- Bioinformatics
Background:
- Traditional chemical searches often rely on common names or identifiers, limiting discovery.
- Accessing structure-property relationships for biomolecules can be challenging.
Purpose of the Study:
- To introduce Query Chem, a web-based program for integrated chemical structure and text searching.
- To enable searching chemical information using structures without prior knowledge of names or identifiers.
- To facilitate the discovery of structure-property relationships for biomolecules.
Main Methods:
- Integration of publicly available chemical databases.
- Utilization of Google's Web Application Program Interface (API).
- Development of a web program for combined structure and text-based searching.
Main Results:
- Query Chem allows structure-based web searches for chemical information.
- Searches can be refined by combining structural queries with text terms.
- The system retrieves structure-property relationships of biomolecules.
Conclusions:
- Query Chem provides a novel approach to searching chemical information.
- The tool enhances the accessibility of chemical structure data and related properties.
- Query Chem facilitates research in areas like biomolecular structure-property analysis.