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Mining Drug Space
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The size of the chemical space and biological space is just incredibly large. This explains why we need all brains, hands, and technologies for really making rational drug design. Otherwise we would just talk about bounded-bounded rational drug design.
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Recent Posts Tagged With 'chemspider'
Peer recognition and building relationships - Even in drug design
"Experts will want to contribute to coworkers who need them, who will hear them, who will respect them and who may even thank them. ... Rather than asking, How do we incentivise people to share their ...
Bridging chemistry islands to the web data silo
Triggered by a few announcements of major publishers and web-services I could not resist to create a little chemical-web 2.0-story.Bridging Chemistry IslandsView more presentations from Joerg kurt Weg...
Antithrombotic graph visualization - Chemistry 2.0 and the ChemSpider journal
"It’s not Information Overload. It’s Filter Failure. If you have the same problem for a long time, maybe it is not a problem, maybe it is a fact ... some of it is rethinking social norm ... we hav...
OpenAstexViewer - an open structural biology viewer
As posted by Noel and Rich was the Java-based AstexViewer just got LGPLed and voila! Here it is, the OpenAstexViewer for structure-based drug design.I personally was especially interested in the elect...
CAS numbers are not public domain, are they?
"Work created before the existence of copyright and patent laws also form part of the public domain. The Bible and the inventions of Archimedes are in the public domain. However, copyright may exist i...
Chemical webs, nets, and spiders
I love it, when people come together and try to understand why particular problems exists. In September 2007 we tried contacting several people for solving the problem of having proper chemical indexi...
ChemSpider search on iGoogle
Extending the PubChem and eMolecules gadgets, I created a simple interface for a basic ChemSpider interface for iGoogle.I noticed a few issues and hope that those might get fixedThe InChiKey search on...
SuperTarget, Matador, ChemSpider: When data curation becomes a hype
Although the first version of SuperTarget with all the search and discovery tools around drug-target relations is already an extensive resource for both large-scale research and in depth analysis, t...
Open data, closed data, or the question about intellectual properties
Now, this poses quite a challenge: different licenses, different copyright holders, requirements to provide access to the source (for the Open data), etc, all in one system. Quite a challenge indeed, ...
Quotes from the neighbors (October 2007)
==Taverna Workshop, Day 1 Update (chem-bla-ics)==The second part of the morning session featured a presentation by Sirisha Gollapudi which spoke about mining biological graphs, such as protein-protein...
Chemical Wikinomics?
Antony posted today about Wikinomics. The really existing part of his post is this announcementOur intention is to Wiki-enable ChemSpider and allow people to add information to each and every chemical...
