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

This will be my shortest blog post ever as I have said enough about this topic but now it is available in a journal. If you need a preprint please contact the authors.


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  1. Sarkis Dallakian says:

    Thank you for this post. I’m all for improved curation of public chemistry databases. However, let’s not forget that all models are wrong, but some are useful. Maybe public chemistry databases need to offer bug bounties to ensure better quality control. Or maybe there needs to be a government sponsored challenges as to who can find the most errors. I was watching Crowdsourcing: The Art and Science of Open Innovation and it seems that we might become reality someday.

    1. sean says:

      Thank you Sarkis..so all databases are wrong but some are useful? I have been doing some literature analysis on error checking in databases so hope to share that soon.

      1. Sarkis Dallakian says:

        Thank you Sean. Sorry, I didn’t mean all databases. Just the chemical structures that are models of physical/chemical reality. That being said, it’s important to correct these errors, to avoid their proliferation, as you write in the article.

        I’m looking forward for your analysis on error checking in databases. Thank you!

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