I have to agree with Vincent that I find aspects of CCDC's apparent actions troubling and warrant discussion even if all parties reach a happy agreement behind closed doors. If the CCDC claims partial ownership of everything derived from their database then how far does that go? Can they prevent someone from publishing an average bond distance mined from 10,000 structures? Do they require that the entire staff of the CCDC be included as coauthors?

Alan is correct that there is much that we do not know: What information has Dr. Hoffmann has supplied only to Crystal Impact and what information is in the public domain?

Since much is unclear, I will offer one possible argument on the CCDC's behalf. Academic researchers are given access to the CSD (and other) databases for academic (public) research at rates considerably reduced from that of commercial research. If someone makes a discovery from these "academic" facilities but rather than disclose it in the open literature, instead decides to use that information for private gain (either for the researcher or the employer's institution) then from my perspective this academic researcher/institution is "cheating" by paying academic rates, but performing commercial research. (I am not suggesting that I know this to be the case here).

The CCDC is a valuable resource to our scientific community. The CCDC should take all steps needed to protect their intellectual property -- which is their compilation of data (note anyone can compile their own data collection from the literature by "simply" typing in all the coordinates again), plus the wealth of tools they have built over the decades, as well as the comments and corrections they have created and include in their data collection. I think it reasonable that the CCDC forge agreements with organizations that would mine their data collection for profit.

If on the other hand, the CCDC works to prevent the open publication of research results that derive from their data collection, or uses their size to prevent companies from producing software that competes with their own products, then I think they can no longer claim to be a non-profit organization "dedicated to the advancement of chemistry and crystallography for the public benefit..." (I am also not suggesting that I know this to be the case here).

What exactly is the case here? I don't claim to know. I would hope that Dr. Hoffmann will publish all of his results from use of the CSD. At that point I would hope that the CCDC would not feel that algorithms or software that implements this public information is their intellectual property, unless developed within the CCDC. I will wait quietly and see what we learn over the months to come.

Brian



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