Rajarshi Guha wrote:
Hi, while working on a presentation, I was wondering: are there any
open standards in cheminformatics? Standard may be too strong a term -
an alternative might be to ask if there are any open specifications in
cheminformatics?
Well, that depens on the definition of
On Thu, Apr 2, 2009 at 10:09 AM, Daniel Leidert
daniel.leidert.s...@gmx.net wrote:
Rajarshi Guha wrote:
Hi, while working on a presentation, I was wondering: are there any
open standards in cheminformatics? Standard may be too strong a term -
an alternative might be to ask if there are any
...@gmx.net]
Sent: Thursday, April 02, 2009 4:10 AM
To: Rajarshi Guha; blueobelisk-discuss@lists.sourceforge.net
Subject: Re: [Blueobelisk-discuss] Open Standards in cheminformatics
Rajarshi Guha wrote:
Hi, while working on a presentation, I was wondering: are there any
open standards
Rajarshi,
I second Christoph - JCAMP-DX is an open standard that could do a lot more
good in the chemistry community if the word gets spread more about its
utility
On Wed, Apr 1, 2009 at 5:28 PM, Christoph Steinbeck steinb...@ebi.ac.ukwrote:
Right - and the InChI of course.
C.
Rajarshi Guha
On Thu, Apr 2, 2009 at 1:35 PM, Jean-Claude Bradley
jeanclaude.brad...@gmail.com wrote:
I second Christoph - JCAMP-DX is an open standard that could do a lot more
good in the chemistry community if the word gets spread more about its
utility
Let's summarize this in the BlueObelisk wiki, and
On Thu, Apr 2, 2009 at 4:05 PM, Craig James craig_ja...@emolecules.com wrote:
Egon Willighagen wrote:
Let's summarize this in the BlueObelisk wiki, and annotate things with
homepage, mailing list, etc.
It's always good to define our terms.
Open definition:
- Public participation in
On Apr 2, 2009, at 10:16 AM, Antony Williams wrote:
So, what was it that Rajarshi wanted based on this list? :-)
ah...he'll
figure it out!
:)
Actually, I had a mental block that night (I was trying to make some
slides on Open Standards in cheminformatics) and was hoping for some
Hi, while working on a presentation, I was wondering: are there any
open standards in cheminformatics? Standard may be too strong a term -
an alternative might be to ask if there are any open specifications in
cheminformatics?
A number of examples come to mind
SDF spec
SLN spec
OpenSMILES
CML and JCAMP?
C.
Rajarshi Guha wrote:
Hi, while working on a presentation, I was wondering: are there any
open standards in cheminformatics? Standard may be too strong a term -
an alternative might be to ask if there are any open specifications in
cheminformatics?
A number of
On Apr 1, 2009, at 5:22 PM, Christoph Steinbeck wrote:
CML and JCAMP?
Aah, of course!
---
Rajarshi Guha rg...@indiana.edu
GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84
Right - and the InChI of course.
C.
Rajarshi Guha wrote:
On Apr 1, 2009, at 5:22 PM, Christoph Steinbeck wrote:
CML and JCAMP?
Aah, of course!
---
Rajarshi Guha rg...@indiana.edu
GPG Fingerprint: D070 5427 CC5B 7938
/03/19/a-comprehensive-guide-flexmol-a-modern-language-for-chemical-representation-part-1-outlining-the-problem
Best,
Rich
--- On Wed, 4/1/09, Christoph Steinbeck steinb...@ebi.ac.uk wrote:
From: Christoph Steinbeck steinb...@ebi.ac.uk
Subject: Re: [Blueobelisk-discuss] Open Standards
: BlueObelisk-Discuss
Subject: Re: [Blueobelisk-discuss] Open Standards in cheminformatics
CML and JCAMP?
C.
Rajarshi Guha wrote:
Hi, while working on a presentation, I was wondering: are there any
open standards in cheminformatics? Standard may be too strong a term -
an alternative might
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