ChemSpider contributing to the Google Wave Project Resulting from Scifoo

1 view
Skip to first unread message

Antony Williams

unread,
Jul 20, 2009, 9:50:15 AM7/20/09
to knowled...@googlegroups.com

 

From the ChemSpider group…

 

We want to help integrate a robot into Google Wave that understands chemical terms and will convert them to chemical structures to insert into the wave.

 

Here are my thoughts…tell me if they are feasible please.

 

1)       If users want to convert a chemical name to a chemical structure then in the wave something such as [chemical:aspirin] should send aspirin to our web service and return a chemical structure image for embedding in the wave.

2)       What would be ideal is to have the user hover over the chemical name and see the structure image…for example:

 

 

We have web services that can do the look up of the structure based on chemical name and return a structure image: http://www.chemspider.com/Search.asmx

 

Would it be possible to engage one of your team in a hackathon to integrate this type of capability?

 

Looking forward to your comments. Thanks

 

 

 

Antony Williams, VP Strategic Development

ChemSpider, Royal Society of Chemistry

US Office: 904 Tamaras Circle, Wake Forest, NC-27587

 

Phone: +1 (919) 201-1516
Fax: +1 (919) 300-5321

Email: antony....@chemspider.com

 

URL: www.chemspider.com

Blog: http://www.chemspider.com/blog 

Twitter: http://twitter.com/ChemSpiderman

Skype: tony27587

 

image002.gif
image001.jpg
image002.gif

Bruce D'Arcus

unread,
Jul 20, 2009, 10:08:25 AM7/20/09
to knowled...@googlegroups.com
I don't do chemistry at all, but apropos of thread on citations ...

On Mon, Jul 20, 2009 at 9:50 AM, Antony Williams<to...@chemspider.com> wrote:

> We have web services that can do the look up of the structure based on
> chemical name and return a structure image:
> http://www.chemspider.com/Search.asmx

Would it be feasible to use the same linked data principles I was
suggesting for citation identification and to identify chemicals by
URI (that might in turn be linked web services like you mention)?

Bruce

Andrew Lang

unread,
Jul 20, 2009, 11:12:51 AM7/20/09
to knowled...@googlegroups.com

We could create a chemspidey robot that would scan the text for chemical names and offer all sort of options - embed image, pop-up info box, embed spectrum, etc. 

-Andy


Subject: ChemSpider contributing to the Google Wave Project Resulting from Scifoo
Date: Mon, 20 Jul 2009 09:50:15 -0400
From: to...@chemspider.com
To: knowled...@googlegroups.com


Windows Live™ Hotmail®: Celebrate the moment with your favorite sports pics. Check it out.
image001.jpg
image002.gif

ChemSpiderman

unread,
Jul 20, 2009, 3:13:22 PM7/20/09
to Knowledge Waves
I think the URI would work fine for identifiers such as InChIs and
inChIKeys but I am not so sure that's the way to go for common old
names...

On Jul 20, 10:08 am, "Bruce D'Arcus" <bdar...@gmail.com> wrote:
> I don't do chemistry at all, but apropos of thread on citations ...
>

ChemSpiderman

unread,
Jul 20, 2009, 3:20:10 PM7/20/09
to Knowledge Waves
Andy..we can do the name searching later...it;s not so easy really as
we did it for ChemMantis and it's a big job.

Right now I simply want to define a name as suggested and link it to
the web service and pull an image...

Long journeys start with single steps and all that....

On Jul 20, 11:12 am, Andrew Lang <gameshon...@hotmail.com> wrote:
> We could create a chemspidey robot that would scan the text for chemical names and offer all sort of options - embed image, pop-up info box, embed spectrum, etc.
> -Andy
>
> Subject: ChemSpider contributing to the Google Wave Project Resulting from Scifoo
> Date: Mon, 20 Jul 2009 09:50:15 -0400
> From: t...@chemspider.com
> To: knowled...@googlegroups.com
>
> From the ChemSpider group…
>
> We want to help integrate a robot
> into Google Wave that understands chemical terms and will convert them to
> chemical structures to insert into the wave.
>
> Here are my thoughts…tell me if they are feasible please.
>
> 1)       If users
> want to convert a chemical name to a chemical structure then in the wave
> something such as [chemical:aspirin] should send aspirin to our web service and
> return a chemical structure image for embedding in the wave.
>
> 2)       What would
> be ideal is to have the user hover over the chemical name and see the structure
> image…for example:
>
> We have web services that can do the
> look up of the structure based on chemical name and return a structure image:http://www.chemspider.com/Search.asmx
>
> Would it be possible to engage one
> of your team in a hackathon to integrate this type of capability?
>
> Looking forward to your comments.
> Thanks
>
> Antony Williams, VP Strategic Development
>
> ChemSpider, Royal Society of
> Chemistry
>
> US Office: 904 Tamaras Circle, Wake Forest,
>  NC-27587
>
> Phone: +1
> (919) 201-1516
>
> Fax: +1 (919) 300-5321
>
> Email: antony.willi...@chemspider.com
> _________________________________________________________________
> Windows Live™ Hotmail®: Celebrate the moment with your favorite sports pics. Check it out.http://www.windowslive.com/Online/Hotmail/Campaign/QuickAdd?ocid=TXT_...
>
>  image001.jpg
> 63KViewDownload
>
>  image002.gif
> < 1KViewDownload

Cameron Neylon

unread,
Jul 20, 2009, 3:35:53 PM7/20/09
to knowled...@googlegroups.com

> Right now I simply want to define a name as suggested and link it to
> the web service and pull an image...

I think I can see how to do this based on looking at how Graphy works

http://code.google.com/p/google-wave-resources/source/browse/trunk/samples/e
xtensions/robots/python/graphy/graphy.py

The way I would suggest doing this is:

1) Build a robot that recognises a (single) specific term (e.g. Benzene)
2) Modify robot to add an image derived from ChemSpider next to the text
3) Step beyond this is to spot a Regex such as chem:"xxxxxxxxxx" and then
search chemspider and pull down an image, but I think that is a step beyond.
Let me see if I can hack something together over the next day or two.

Could I also suggest that perhaps now might be a good time to move
discussions of specific processes into "Pages" in the group rather than
"Discussions". The group is growing quite fast now and there's a risk of the
email becoming a deluge as more people start to build things. With pages you
can choose whether to notify the whole group, but you don't seem to get a
page specific notification or RSS feed. At some point we can move to a wiki
or code repository as appropriate.

Cheers

Cameron


On 20/07/2009 20:20, "ChemSpiderman" <tony...@gmail.com> wrote:

>
> Andy..we can do the name searching later...it;s not so easy really as
> we did it for ChemMantis and it's a big job.
>

> Long journeys start with single steps and all that....
>
> On Jul 20, 11:12 am, Andrew Lang <gameshon...@hotmail.com> wrote:
>> We could create a chemspidey robot that would scan the text for chemical
>> names and offer all sort of options - embed image, pop-up info box, embed
>> spectrum, etc.
>> -Andy
>>
>> Subject: ChemSpider contributing to the Google Wave Project Resulting from
>> Scifoo
>> Date: Mon, 20 Jul 2009 09:50:15 -0400
>> From: t...@chemspider.com
>> To: knowled...@googlegroups.com
>>
>> From the ChemSpider groupŠ
>>
>> We want to help integrate a robot
>> into Google Wave that understands chemical terms and will convert them to
>> chemical structures to insert into the wave.
>>
>> Here are my thoughtsŠtell me if they are feasible please.
>>
>> 1)       If users
>> want to convert a chemical name to a chemical structure then in the wave
>> something such as [chemical:aspirin] should send aspirin to our web service
>> and
>> return a chemical structure image for embedding in the wave.
>>
>> 2)       What would
>> be ideal is to have the user hover over the chemical name and see the
>> structure
>> imageŠfor example:
--
Scanned by iCritical.

ChemSpiderman

unread,
Jul 21, 2009, 7:55:56 AM7/21/09
to Knowledge Waves
Cameron...I'm fine with moving the conversations elsewhere and don't
disagree with your suggestions. We are about to release ChemSpider at
IUPAC Glasgow with a new look and then back over to the ACS in
Washington for the big release so won't be able to work on this for
about a month. It's why I was trying to find out whether they could
code this in a hackathon. If not we'll get back to it at the end of
August, Best wishes

anna

unread,
Jul 21, 2009, 11:43:20 AM7/21/09
to Knowledge Waves
All the ideas (from a chemist point of view) look great. Integrating
common names would be a bonus in terms of general science
communication, since people would get used to being presented with
structures and some may become more chemically-literate/curious this
way.
Reply all
Reply to author
Forward
0 new messages