| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 8411266 | Drug Discovery Today: Technologies | 2015 | 8 Pages |
Abstract
- A rich variety of data on millions of diverse compounds are now available in public databases that can be used in drug discovery.
- Differences in database business rules and software limitations mean there will be differences in the structural representation and properties of the same compound in different databases.
- The size and growth of some databases and the available resources mean manual curation is becoming an increasingly unfeasible task.
- Resources are available that enable compounds to be matched between databases where they have the same connectivity but other differences in their structures or representations.
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Authors
Anne Hersey, Jon Chambers, Louisa Bellis, A. PatrÃcia Bento, Anna Gaulton, John P. Overington,