A quality alert and call for improved curation of public chemistry databases

  • Antony J. Williams, Sean Ekins
  • Drug Discovery Today, September 2011, Elsevier
  • DOI: 10.1016/j.drudis.2011.07.007

Quality of public chemistry databases

What is it about?

In 2011 a new database was launched called the NIH Chemical Genomics Center, called the NPC browser. We found errors and reported them to get them fixed. This lead us to a broader exploration of the quality of chemistry databases.

Why is it important?

This was really our first paper that raised some of the data quality issues. It garnered some attention and lead to several more deeper analyses.


Dr Sean Ekins
Collaborations in Chemistry

Really a chance observation set this off. It lead to writing the paper and coming in for some criticism because we spoke up at the time. The database in question was released without sufficient quality checks. Both Tony and I blogged about the work extensively. The result we hope has improved quality of this and other databases and made scientists more aware of chemistry database quality. Some things are hard to do and win few friends at the time - but it was the right thing to do.

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The following have contributed to this page: Dr Antony John Williams and Dr Sean Ekins