All -

Quick question: I have been trying to investigate the IP issues regarding
publishing spectra - and my students and I have found little to tell us
there is a problem.  We even contacted the ACS and they said there was no
issue.

Now, I am confused - since I *know* that their is an issue, but we could not
find the right person to discuss this with.

Does anyone here have a suggestion on where to look?  Any help is greatly
appreciated.

Sanford

On 6/14/07, Christoph Steinbeck <[EMAIL PROTECTED]> wrote:

Tobias Kind wrote:
> Hi Christoph,
> I did not argue about curation of the NMRShiftDB, I think the NMRShiftDB
is
> a great thing and I am happy that somebody started and developed it.

I was aware of that but I just could not resist to make my (pointless)
point :-)

> I was also very happy that I did not comment on the accusations by
> Wolfgang Robien, because a nice BlogWar was developing afterwards.
> http://nmrpredict.orc.univie.ac.at/csearchlite/hallofshame.html
> http://acdlabs.typepad.com/my_weblog/2007/05/update_robien_o.html

Same here - although I will finally have to summarize things and comment.

> You could also argue; how could Wolfgang perform such a statistics
> in the first place? Because he could freely download the data :-)
> In this way he morphed into an open data spectral curator
> in the second place, which was very interesting to watch.

That's why I can't get that smile out of my face when I read the
respective blog fight. I take the reports about errors very seriously,
but not the ones about our model. That was exactly the moderately
original point in our grant proposal for NMRShiftDB - can we transfer
the ideas of open source development to communally developed databases.
It did not work until Wolfgang jumped in :-)
I will blog about this.


> What could have happen in NMR research if Wolfgang Robien would
> have opened his NMR database with 80,000 carbon NMR spectra and
> structures in 1993? We will never know. Maybe we would now talk about
> 2D NMR spectra prediction errors instead of talking about 1D NMR errors
> like: Oh my algorithm is 0.19 ppm better than yours.
> Maybe everybody would use comprehensive algorithms like SENECA or
StrucEluc?
> Such algorithms are innovative and exciting! And instead of 12
publications
> which mention CSearch in the abstract; or 70 at all; there would be 700
> publications which made use of CSearch and Wolfgangs algorithms and
> databases?

Very well said. I have nothing to add here :-)

Cheers,

Chris

--
PD Dr. Christoph Steinbeck ([EMAIL PROTECTED])
Lecturer in Chemoinformatics
Univ. Tuebingen, WSI-RA, Sand 1, D-72076 Tuebingen, Germany
Phone: (+49/0) 7071-29-78978   Fax: (+49/0) 7071-29-5091

What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..
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