Re: [Blue-obelisk] RE: paradigm shift in data sharing in chemistry and the BO (PMR)

2007-06-15 Thread Dr P. Murray-Rust

On Jun 15 2007, Sanford Dickert wrote:


Peter - thanks for the link.  Will follow up.  We did not get anything
formal, we kept getting the run around.

But question: Supporting Information, either in whole or in part - is 
this suggesting that the name of the chemical or the specs (i.e. boiling 
point, melting point) or other aspects (IUPAC number) are also 
copyrighted?


The answer is usually - it hasn't yet been tested in court. I hold this 
is not copyrightable. But the University of Cambridge has already been cut 
off by ACS for (perfectly legal) downloaded of multiple copies of articles 
- they are quite capable of doing it for machine extraction of what they 
regard as copyright.


On 15 Jun 2007 06:17:24 +0100, Dr P. Murray-Rust [EMAIL PROTECTED] wrote:


On Jun 15 2007, Prof. Sanford Dickert wrote:

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.


The releavent policy is contained in pages such as:

 
 
http://pubs3.acs.org/acs/journals/supporting_information.page?in_manuscript=jo0706574


which contains the phrase

Electronic Supporting Information files are available without a 
subscription to ACS Web Editions. All files are copyrighted by the 
American Chemical Society. Files may be downloaded for personal use; 
users are not permitted to reproduce, republish, redistribute, or resell 
any Supporting Information, either in whole or in part, in either 
machine-readable form or any other form. For permission to reproduce 
this material, contact the ACS Copyright Office by e-mail at 
[EMAIL PROTECTED] or by fax at 202-776-8112.


The ACS has insisted in the past that we sign a copyright transfer form 
for all supporting information. I have seen no evidence the policy has 
changed but if it has we'd be delighted to know. If you have a formal 
communication from them on this issue please reproduce it here as it may 
then allow us to change strategy.



 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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 Blue-obelisk mailing list
 Blue-obelisk@hardly.cubic.uni-koeln.de
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--
Peter Murray-Rust
Unilever Centre for Molecular Informatics
Chemistry Department, Cambridge University

Re: [Blue-obelisk] RE: paradigm shift in data sharing in chemistry and the BO (PMR)

2007-06-14 Thread Prof. Sanford Dickert

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..
___
Blue-obelisk mailing list
Blue-obelisk@hardly.cubic.uni-koeln.de
http://hardly.cubic.uni-koeln.de/mailman/listinfo/blue-obelisk

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