Nucl. Acids Res. (6 November 2009), gkp937. Over the last years, the publicly available knowledge on interactions between small molecules and proteins has been steadily increasing. To create a network of interactions, STITCH aims to integrate the data dispersed over the literature and various databases of biological pathways, drug-target relationships and binding affinities. In STITCH 2, the number of relevant interactions is increased by incorporation of BindingDB, PharmGKB and the Comparative Toxicogenomics Database. The resulting network can be explored interactively or used as the basis for large-scale analyses. To facilitate links to other chemical databases, we adopt InChIKeys that allow identification of chemicals with a short, checksum-like string. STITCH 2.0 connects proteins from 630 organisms to over 74 000 different chemicals, including 2200 drugs. STITCH can be accessed at http://stitch.embl.de/. 10.1093/nar/gkp937 Michael Kuhn, Damian Szklarczyk, Andrea Franceschini,...
- Neil Saunders
I didn't expect the paper to come out this quickly, I was quite surprised to see it in my feed reader on the weekend. I have now activated STITCH 2 as public website ... hope it's not too buggy :)
- Michael Kuhn
umm .. you are going to make me re-do some work :p
- Pedro Beltrao
@Michael - quick questions: I don't think I ever saw homology evidences in the drug-gene interactions. Do you guys avoid doing this or it is just not reported in the evidence info ?
- Pedro Beltrao
@Pedro: going from STITCH 1 to 2 will change the identifiers of proteins and chemicals, so check first if you run into trouble there
- Michael Kuhn
re transfer: if you are in human or mouse, you probably won't see so much transfer. but if you go to e.g. chimp, you'll see a lot of transferred evidence
- Michael Kuhn
"For those who want to take a glimpse at where science and scientific discourse are going, take a look at some of the papers at this workshop"
- Bill Hooker
from Bookmarklet
Me too, re: Google Wave gadget. Then add SBML support, use SBGN in the display, support MIRIAM annotations and I can retire penniless.
- Neil Swainston
@Neil, there are a few other tools which support SBML and SBGN (see http://sbgn.org/Communi...). Wikipathways seem to be inventing yet another pathway format and dont provide a conversion to any other existing "standard". Shame as it would benefit everyone if they did.
- Frank
Thinking about it a little more, I'd really like to see the above refactored as a collaborative Google Wave Gadget. I've been involved in about five network reconstruction "jamborees" now, which involve flying loads of people around the World to sit in a room and discuss things that they could do with PathVisio (if it supported SBML...) or Payao. Anyways, this costs a fortune (see the...
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- Neil Swainston
@Neil: WikiPathways is intended exactly for that type of collaborative pathway creation. WikiPathways pathway format is based on, and developed in cooperation with, http://www.genmapp.org. So admittedly it's not a widely supported standard, but at least it wasn't a complete new invention. SBML / SBGN support is on its way. Re Google Wave: unfortunately, all this work predated Google Wave by several years...
- Martijn van Iersel
Oh bother - talking to NAR about writing something on data licensing was on my list of things to do from last year. Guess I missed the boat again :-(
- Cameron Neylon
Cameron: don't worry, data licensing will not stop being in need of explanation any time soon ;D
- Mike Chelen
Why thankyou Mike, you really know how to brighten my day up...
- Cameron Neylon
These end up being a bit of a monster so require decent upload bandwidth to get them up there. My poor home connection is struggling somewhat.
- Cameron Neylon
So you're claiming it took 5 days to upload them? :-) Did you see the video? http://bit.ly/3J0vyS Shame you didn't go "Beep" when you changed the slide so people could follow along ;-)
- AJCann
@ajcann Richard has a very annoying doorbell noise he adds to his slide transition, keeps the students awake and then he uploads with mp3 audio recording of the presentation, so you can join the two together. I think he's the only person still using our mp3 recorders from the techdis project!
- Jo Badge
Nope. I'm claiming I didn't have a decent internet connection till yesterday and thought I deserved at least one day of rest :-) Hmmm, wonder if you could set up a high pitched sound off the computer that would be picked up by the camera but not audible? I might try and pull the audio off the video and see if I can do a slidecast at some point. I haven't watched much of the video though - can't stand watching myself...
- Cameron Neylon
I usually do a shortened mp3 for my talks which I sync up on Slideshare before the talk. I suspect people are less tolerant of me droning on online than during a talk. I know I am. As Guy Kawasaki says of PowerPoint presentations with too much text, I can think faster than this bozo can talk.
- AJCann
That's true - hence I try to put enough text on the slides to make them more or less self sufficient. Doesn't always work of course. Especially if there is a big chunk of live demo missing...
- Cameron Neylon
If we're to get continued funding, and support JBrowse to meet all the
requests that you have justifiably demanded, it's absolutely critical
that we demonstrate an overwhelming demand for JBrowse from the user
community -- that means you. http://sourceforge.net/mailarc...
"Also, in another subproject of the same grant, we plan to develop a JBrowse version of the GBrowse_syn synteny viewer developed by Sheldon McKay, so you can browse syntenic regions of homologous genomes side-by-side." definitely convinced me that a letter is in order.
- Paul J. Davis
I think I am finally beginning to get my head round this. Got my self a desktop notifier, the iPhone skin for my itouch is really clear, picking up some new subscriptions and dumping my tweeters back into the twitterverse :-)
- Jo Badge
from iPod
[Image: "network" by Simon Cockell, link to original source for attribution] In particular, what are you using to view networks in a dynamic way? Cytoscape seems the behemoth for visualizing biological networks, but have you used other solutions? A group mate and I have been discussing how we could *really* use a JavaScript library that rendered as SVG in a web browser. This would allow us to call for more data from our databases and present data on the fly and only-as-needed. He's convinced we could start writing one; I'm concerned it's a lot more difficult than he thinks, but we're both fishing for other ideas.
- Chris Lasher
from Bookmarklet
We're using Raphael in the Protein Geometry Database <http://pgd.science.oregonstate.edu/> for rendering our graphs. It's been a huge boon to cross-browser compatibility since IE *still* can't do SVG.
- Donnie Berkholz
You might try a particle demo on Chromium's canvas element. Other than that I think the optimizations for performance could end up being the bigger project. Not undoable, just maybe not worth the time. Also, specifically Chromium as they're canvas element is current the best, though hopefully FF and Safari aren't too far behind. For IE, just give them a link to Chrome Frame ;)
- Paul J. Davis
Is this meant for big graphs? Is the focus on layouts etc? Prefuse is a pretty nice toolkit for graph layout/calculations. igraph also is an excellent library with a bunch of layout algos
- Rajarshi Guha
Many thanks for your input, guys. @Rajarshi We have graphs of 5k-12k nodes and 20k-80k edges. I don't know if that counts as large but they're not small. @Paul I'm worried about performance (responsiveness) given that Firefox can take a pounding in some of the demos at http://www.chromeexperiments.com. That's why I wonder if Cytoscape is really the only option (right now). @Mike and...
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- Chris Lasher
Thanks, Chris! I certainly hope it enables some folks to do interesting science instead of just looking pretty, though. =)
- Donnie Berkholz
This one is lovely: "Their jobs sound very interesting because they can do whatever they want and they still get paid for it." ;-))
- Yaroslav Nikolaev
Yes, that's why I said my 'count' was lower than those ~165 entries. :-)
- Pierre Lindenbaum
How did you compile the list? Wondering what my count is... not created so much as you, and still am impressed by your productivity... even if 165 is the upper limit :)
- Egon Willighagen
A google wave robot that takes lists of numbers and converts them to sparklines. Interesting because it does image insertion and other things but also because of the sparkline webservice it uses and the way it gets around appengine limitations
- Cameron Neylon
Good stuff. After looking at Cameron's ChemSpidey, Igor, and now this, I'm really getting excited about the potential for bots and in-line modification of the info-stream.
- Todd Harris
This has always been an issue, outside of any specific discipline... it would be good to have someone host a virtual image which was a production snapshot for interested parties to download, and run as needed.
- Tom.Pasley
Personally, I think not every app should be actively maintained. Some tools (many/most?) deserve to gracefully fall away into obscurity if they aren't being used. it just doesn't make sense to maintain them, and it increases the cruft that end users have to sort through to find the best tools. OTOH, if you're getting _lots_ of requests and feedback, then I think that would be motivation to find continued funding. Having said all that, the VM idea is a pretty good one...
- Andrew Su
Andrew - Good point. Sustained demand for a resource makes a good case for at least maintenance levels of funding. And I agree - there is a huge amount of noise with circulation of old tools and info (like Googling a problem and getting results from 2007 - always suspect). Still, so many bioinformatics projects generate resources and not always publications. It seems like we need a place to archive this content.
- Todd Harris
@Tom You're right. And I'm certain that other fields have already made in-roads in this area. Would be good to leverage that experience.
- Todd Harris
I love the "PBB" stuff we posted at Google Code, but it's admittedly a bit stale (in the services that it consumes and in the format it outputs). The new tool we have is at http://biogps.gnf.org/GeneWik... (for example, for PRKACB: http://bit.ly/332ed3). Right now this tool is only used for manual updates/additions, but it exports XML so we're planning on wrapping it in a script for mass updates as well...
- Andrew Su
Andrew, is the BioGPS code available? I was looking into PBB to extend what you've done but for genes from model organisms. There is a wealth of highly curated information I want to seed (and have the bot maintain).
- Todd Harris
Todd, don't know how I let this one slip by, sorry for the delayed response. You're interested in BioGPS code or PBB code? Both are possible, but both have challenges. Would love to think about working together if you've got something in mind...
- Andrew Su
ahh, now I get it, our BioGPS plugin for creating Gene Wiki content. yup, definitely possible. But you should know that due to WP's infamous "notability" guideline it can be hard to get model organism info put in en masse, but it's worth giving it a shot...
- Andrew Su
I am looking for a simple option to retrieve the mesh terms and publication date for a given PubMed ID. I was looking at Eutils tools like esearch and efetch. But not able to find the exact details or URL format to query PubMed using key workd and print only publication date and mesh fields - any suggestions ?
Obviously you need something like curl or wget which can run from a script and download from a URL. If you need to search by something other than PMID (e.g. a text query), use esearch to run the query and get back the IDs, then efetch to download the docs corresponding with those IDs. Does that make sense?
- Andrew Clegg
e.g. to get all MeSH terms and the pub date for PMID 19614587, try this (from a Mac or Linux command line anyway): curl -s 'http://eutils.ncbi.nlm.nih.gov/entrez... '^(MH |DP )' -- ARGH, FriendFeed being 'helpful' has mangled the command and I don't know how to override that. If you give me an email I can send better instructions :-)
- Andrew Clegg
and the more people wil use XML+XSLT or RDF, and the more you will work with structured data instead of parsing/grepping/sorting meaningless tab-delimited files.
- Pierre Lindenbaum
Yes, it's only starts to become fun when you are pulling XML from more than one document :)
- Egon Willighagen
personally, I would use an xpath library to parse the xml and output in plain text. my understanding is that xslt (which uses xpath) is great for parsing xml but pretty much is designed to output XML or HTML only.
- Andrew Su
@andrew : can you use Xpath without programming ? which of tool is it ? Anybody can use XSLT as most browser embed an internal XSLT engine. You just have to add the URL of your stylesheet at the top of your XML document ( http://www.w3schools.com/xsl... )
- Pierre Lindenbaum
Seriously guys -- XPath/XSLT is overkill for this kind of thing. It's a one-liner. I've written is up here so it doesn't get mangled this time: http://biotext.org.uk/how-to-...
- Andrew Clegg
working code wins! ;) (But I will say that learning to use the perl XPATH library was surprisingly simple, even for someone whose skills are decaying as fast as mine...)
- Andrew Su
BTW XMLStarlet is great for doing XPath/XSLT/etc. from the command line -- http://xmlstar.sourceforge.net/ or you may already have it as /usr/bin/xml -- but try it the easy way first ;-)
- Andrew Clegg
Andrew C, where I think your one-liner gets a bit more complicated is when you request multiple documents (e.g., http://eutils.ncbi.nlm.nih.gov/entrez...) and then want to parse out multiple fields from each article on a single line. That I think is where the balance shifts a bit toward xpath...
- Andrew Su
@Andrew Yeah, it very much depends on what you want to do *next*...
- Andrew Clegg
from email
(sorry to everyone else for hijacking this thread, but...) Pierre, very cool. How do you invoke your xsl? you need to reference it in an XML doc, right?
- Andrew Su
1) you can invoke a XSLT engine e.g. http://xmlsoft.org/XSLT... "xsltproc style.xsl doc.xml" 2) you can add a stylesheet url at the top of your XML document and open this document in firefox . See "Link the XSL Style Sheet to the XML Document" in http://www.w3schools.com/xsl...
- Pierre Lindenbaum
@All : Thanks a lot for the awesome responses. Let me go through them and try them. I was working on to contribute to GeneWiki3 (Thanks to Andrew Su, he assigned a small module for me to contribute to GeneWiki3) This is a true Science 2.0 learning experience. Thank you all !!
- Khader Shameer