latest version of Quixote paper

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Peter Murray-Rust

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Jun 20, 2011, 10:37:33 AM6/20/11
to Quixote mail list, paul.s...@stfc.ac.uk, Charlotte Bolton
I have now added sections on motivations and quality to the paper. I hope we can send this off RSN. Charlotte and I will go through it tomorrow morning.

P.


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Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069

Jorge Estrada

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Jun 21, 2011, 9:08:54 AM6/21/11
to quixot...@googlegroups.com, charlott...@gmail.com
It looks good.

I have added some mention to the CECAM Scientific Software Working
Group and its Open Innovation vision.

Regards,

Jorge

Peter Murray-Rust <pm...@cam.ac.uk> ha escrito:

Peter Murray-Rust

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Jun 21, 2011, 9:12:37 AM6/21/11
to quixot...@googlegroups.com, charlott...@gmail.com, paul.s...@stfc.ac.uk

Many thanks,

I will try to create a dictionary entry and a data entry as an appendix

Paul Sherwood is also making some additions but we should be able to send it off tomorrow.
 

P.


paul.s...@stfc.ac.uk

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Jun 22, 2011, 3:01:23 AM6/22/11
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I have made some changes now, mainly I have tried to rewrite the abstract to describe the broader benefits of the approach. I have also updated the acknowledgement to reflect EPSRC support for Jens.

 

One further thought -  The web address of the prototype chempound repository (http://quixote.ch.cam.ac.uk ) does not appear to be in the paper, is that because the URL is expected to change? If it is expected that we keep a demonstration repository at that address, I suggest that we point the readers of the paper at it. What will happen otherwise is that the reader will take the URL off the screenshots and try it out, and this looks like a developmental version.

 

Paul


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Peter Murray-Rust

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Jun 22, 2011, 3:10:48 AM6/22/11
to quixot...@googlegroups.com, charlott...@gmail.com
On Wed, Jun 22, 2011 at 8:01 AM, <paul.s...@stfc.ac.uk> wrote:

I have made some changes now, mainly I have tried to rewrite the abstract to describe the broader benefits of the approach. I have also updated the acknowledgement to reflect EPSRC support for Jens.


Thanks - Charlotte and I are meeting soon.

 

One further thought -  The web address of the prototype chempound repository (http://quixote.ch.cam.ac.uk ) does not appear to be in the paper, is that because the URL is expected to change? If it is expected that we keep a demonstration repository at that address, I suggest that we point the readers of the paper at it. What will happen otherwise is that the reader will take the URL off the screenshots and try it out, and this looks like a developmental version.


Good point.

 
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