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Updated: May 5, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
Chemical structure searching: taking it to the next level
Kimberly Miller1, Robert Poolman
1NIBR Search & Analytics Team, Novartis Institutes for BioMedical Research, 220 Massachusetts Avenue, Cambridge, MA, USA. kimberly.miller@novartis.com.
Enhance chemical structure searches in the pharmaceutical industry by employing diverse strategies. Comprehensive searching ensures no relevant prior art is missed, improving drug discovery and development outcomes.
Area of Science:
- Pharmaceutical Chemistry
- Intellectual Property Law
Background:
- Chemical structure searching is critical but challenging for ensuring comprehensive results.
- Searchers often face the risk of missing relevant prior art, leading to potential legal and developmental issues.
Purpose of the Study:
- To discuss methods for expanding the scope of chemical structure searches in the pharmaceutical industry.
- To improve the comprehensiveness of patent searches and reduce the likelihood of overlooking key references.
Main Methods:
- Utilizing broad 'core' structure searches linked to drug indications or mechanisms of action.
- Incorporating patent citation searching, pharmaceutical pipeline databases, and inventor/assignee-based searches.
- Documenting search techniques used and including 'references of possible interest' in reports.
Main Results:
- Expanded search strategies increase the overall comprehensiveness of chemical structure searches.
- Systematic inclusion of diverse search techniques leads to more robust results.
- Improved search comprehensiveness minimizes the risk of missing relevant prior art.
Conclusions:
- Employing a multi-faceted approach to chemical structure searching is essential for thoroughness in the pharmaceutical sector.
- Comprehensive searches enhance the reliability of patent analysis and support informed decision-making in drug development.
- Documenting search methodologies adds value and transparency to the search process.
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