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,...
- Yann Abraham
Nature, Vol. advance online publication (01 November 2009) Although drugs are intended to be selective, at least some bind to several physiological targets, explaining side effects and efficacy. Because many drug–target combinations exist, it would be useful to explore possible interactions computationally. Here we compared 3,665 US Food and Drug Administration (FDA)-approved and investigational drugs against hundreds of targets, defining each target by its ligands. Chemical similarities between drugs and ligand sets predicted thousands of unanticipated associations. Thirty were tested experimentally, including the antagonism of the 1 receptor by the transporter inhibitor Prozac, the inhibition of the 5-hydroxytryptamine (5-HT) transporter by the ion channel drug Vadilex, and antagonism of the histamine H4 receptor by the enzyme inhibitor Rescriptor. Overall, 23 new drug–target associations were confirmed, five of which were potent (<100 nM). The physiological relevance of one, the...
- Yann Abraham
The question is whether you can calculate standard deviation for fold change values if the groups you compare are not matched.
- Berci Mesko, MD
So you are considering the ratio of values derived from 2 unmatched populations, like testing 2 populations with different treatments? In that case I would use an ANOVA rather than working with the ratio... or did I miss something?
- Yann Abraham
One group of controls and one group of diseased patients.
- Berci Mesko, MD
Nature Precedings, No. 713. (16 October 2009) The exponentially increasing number of published papers (1.4 million per year by one estimate) makes it more and more difficult for us to manage the flood of scientific information. Each of us has acquired some protocol to find and organize journal articles and other references over the course of our careers. Most of those protocols are likely to have been formed by old routines or idleness rather than a structured approach to save time and frustration over the long run. Furthermore, with the Web 2.0 revolution, new ways of handling information are emerging (O’Reilly 2005). For example, traditional standalone tools for reference management like EndNote are being supplemented by centralized resources like RefWorks and social bookmarking sites as described subsequently. This fusion of personal and public information offers the promise of efficiency through better organization, which in turn leads to better science.How can seasoned scientists...
- Yann Abraham
Science, Vol. 325, No. 5937. (10 July 2009), pp. 161-165. Historically, the majority of new drugs have been generated from natural products (secondary metabolites) and from compounds derived from natural products. During the past 15 years, pharmaceutical industry research into natural products has declined, in part because of an emphasis on high-throughput screening of synthetic libraries. Currently there is substantial decline in new drug approvals and impending loss of patent protection for important medicines. However, untapped biological resources, "smart screening" methods, robotic separation with structural analysis, metabolic engineering, and synthetic biology offer exciting technologies for new natural product drug discovery. Advances in rapid genetic sequencing, coupled with manipulation of biosynthetic pathways, may provide a vast resource for the future discovery of pharmaceutical agents. 10.1126/science.1168243 Jesse Li, John Vederas
- Yann Abraham
Nature Chemical Biology, Vol. 5, No. 9. (02 August 2009), pp. 647-654. Biochemical combinatorial techniques such as phage display, RNA display and oligonucleotide aptamers have proven to be reliable methods for generation of ligands to protein targets. Adapting these techniques to small synthetic molecules has been a long-sought goal. We report the synthesis and interrogation of an 800-million-member DNA-encoded library in which small molecules are covalently attached to an encoding oligonucleotide. The library was assembled by a combination of chemical and enzymatic synthesis, and interrogated by affinity selection. We describe methods for the selection and deconvolution of the chemical display library, and the discovery of inhibitors for two enzymes: Aurora A kinase and p38 MAP kinase. Matthew Clark, Raksha Acharya, Christopher Arico-Muendel, Svetlana Belyanskaya, Dennis Benjamin, Neil Carlson, Paolo Centrella, Cynthia Chiu, Steffen Creaser, John Cuozzo, Christopher Davie, Yun Ding,...
- Yann Abraham
BMC Bioinformatics, Vol. 8, No. 1. (2007) BACKGROUND:The web has seen an explosion of chemistry and biology related resources in the last 15 years: thousands of scientific journals, databases, wikis, blogs and resources are available with a wide variety of types of information. There is a huge need to aggregate and organise this information. However, the sheer number of resources makes it unrealistic to link them all in a centralised manner. Instead, search engines to find information in those resources flourish, and formal languages like Resource Description Framework and Web Ontology Language are increasingly used to allow linking of resources. A recent development is the use of userscripts to change the appearance of web pages, by on-the-fly modification of the web content. This pens possibilities to aggregate information and computational results from different web resources into the web page of one of those resources.RESULTS:Several userscripts are presented that enrich biology...
- Yann Abraham
Yeah - I'd love to see a community building greasemonkey scripts for life-science sites - pubmed, citeulike, etc. Hell, maybe I'll start working on some...
- Chris Miller
Mike, that was sort of the set up in SVN too, which is why there still is userscript/trunk (though we never made tags of branches, which is why there is no matching userscript/branches or userscript/tags ...
- Egon Willighagen
Searching Google Wave with "tag:the-life-scientists" will get you to "Research collaborations in Wave", a good starting point for life scientists.
- Martin Fenner
I don't get how you search in public waves. I've tried searching for tag:the-life-scientists and it gets no hits -- I think it's just searching my own waves
- Andrew Clegg
there was a thread by Kol about wave usernames couldn't find the link
- ffcode
Aha -- with:public . They really should include a button for that
- Andrew Clegg
An undergraduate student in our lab, Caleb, just got his wave invite. I told him to look at this thread for possible people to connect with.
- Steve Koch
Afternoon all. I've written my first robot, which hopefully will embed an interactive mass spectrum into a blip whenever a UniProt name is encountered in the text, and corresponding mass spec data is found for this protein. I say "hopefully", as I've not been able to test it for real, as, alas, I have no account. When are the next batches released? If it's not for ages, does anyone fancy testing it anyway?
- Neil Swainston
Since I have seen lots of people asking, but nobody offering, I conclude that the new invites haven't gone out yet. Has anybody actually received a new account today yet?
- Matt Leifer
Are we forming the queue here then? If so, here I am :) Thanks! (allyson.lurena at that gmail email account)
- Allyson Lister
The BBC suggest that each account gets 5 invites (http://news.bbc.co.uk/1...), but I read on Techcrunch yesterday that each account got 8 nominations (not invites, merely suggestions...). There's obviously no definitive info out there. Anyway, if there's invites going, and this is the queue, count me in :) (sjcockell at googlemail)
- Simon Cockell
I saw some comment about release at 4pm BST but no idea where that came from or if it is accurate
- Cameron Neylon
Those Ebay buyers are going to be sorely disappointed when they find that it's not an invite but rather a nomination, which I read a Google's way of saying "we'll know if you try to let in a SEO or spam account".
- Mr. Gunn
Ok - it looks like I have eight - can other people on the sandbox confirm numbers and we can see about dividing these things up. Also can anyone who got their own invite delete the comment above?
- Cameron Neylon
I can confirm 8 invites... which are really nominations, it seems...
- Egon Willighagen
Line gets crowded ;-) pls count me in: yar.nikolaev [] gmail.com
- Yaroslav Nikolaev
I make it 17 names above - and I've seen at least three other requests (Richard Akerman, Mike Ellis, David Bradley). So not sure how to do this. My inclination is to prioritise based on people who will be able to put some direct effort into building (but not necessarily coding) things.
- Cameron Neylon
Can I just check whether Bjorn, Andy, and others with sandbox accounts have any free invites?
- Cameron Neylon
Would it be worth getting those interested in obtaining accounts to write a short abstract (say 100-200 words) about the sorts of projects they'd use their account for?
- Dan Hagon
To all those wondering what is going on here - we are trying to coordinate the invitations we have with the people who want them. Its a bit of a slow process.
- Cameron Neylon
Shouldn't Wave make that process faster? :)
- Jan Aerts
from Android
Yes, Jan. There's a wave weve set up for tracking who's got them and who still needs them. Everyone from this thread (that I know - please don't spam this thread ;-)) has been added.
- Mr. Gunn
Since I haven't heard from Google, yet, I'll place myself in this queue for Wave invites. First name, last name, gmail. Thanks for organizing the process.
- Chris Lasher
Cameron - Thanks for your efforts to match requests to invitations. Hopefully there'll be enough to go around for everyone on this thread who asked for one. Btw, because I didn't mention it above, my gmail account name is axiomsofchoice.
- Dan Hagon
Jan, Wave makes the communication faster and more efficient in some ways but it doesn't help that much for human processes - like making difficult decisions. Also as far as I am aware the invitations I haven't sent haven't actually flowed through the system yet so you're not missing anything as yet...
- Cameron Neylon
Oh, I'll add myself late to the list. rni.boh at gmail (you know the rest...).
- Bob O'Hara
Would like to add myself to the queue as well ;-)
- bala chandar
I would like to add my name to the list too - mhanwell at gmail if there are any invites still out there.
- Marcus D. Hanwell
I have now been nominated for an invite (it's "in the mail"), so I've removed my comment above. Thanks @robsyme !
- Andrew Perry
I have seen this in real life, and when I offered to write a script to do it faster and quicker, that you could re-use again, the response was, "but why?
- Frank
which also reminds me of someone who was checking 7 different websites every week getting upto date information a certain identifier. When asked, if I wrote you a workflow to do the checking automatically and only alert you when the information you are looking for has changed, do you think that would be useful?, the response was "No, I do not".
- Frank
I stand corrected :) I haven been sent a word file with sequence data for a while. Must be the realization that pdf files are better for that kind of thing...
- Greg Tyrelle