Re: [Blueobelisk-discuss] Open Standards in cheminformatics

2009-04-02 Thread Daniel Leidert
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

Re: [Blueobelisk-discuss] Open Standards in cheminformatics

2009-04-02 Thread Egon Willighagen
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

Re: [Blueobelisk-discuss] Open Standards in cheminformatics

2009-04-02 Thread Antony Williams
Thanks for asking the question Daniel. I was asking the same question about SDF. InChI is definitely Open Source but has not, to the best of my knowledge, been extended and enhanced by the community while it's development has been influenced by a committee from the community. This approach has

Re: [Blueobelisk-discuss] Open Standards in cheminformatics

2009-04-02 Thread Jean-Claude Bradley
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

Re: [Blueobelisk-discuss] Open Standards in cheminformatics

2009-04-02 Thread Egon Willighagen
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

[Blueobelisk-discuss] On the topic of open science (was: Re: Open Standards in cheminformatics)

2009-04-02 Thread Jonathan Alvarsson
On Thu, Apr 2, 2009 at 1:24 PM, Antony Williams t...@chemspider.com wrote: Thanks for asking the question Daniel. I was asking the same question about SDF. InChI is definitely Open Source but has not, to the best of my knowledge, been extended and enhanced by the community while it's

Re: [Blueobelisk-discuss] Open Standards in cheminformatics

2009-04-02 Thread Egon Willighagen
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

Re: [Blueobelisk-discuss] Open Standards in cheminformatics

2009-04-02 Thread Rajarshi Guha
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