Aug
30
Added a Simile Timeline to my homepage
I finally got around to updating my homepage. Not entirely done yet, but it was overdue.
Aug
25
Third #acs_boston talk: the Orbital Development Kit
Odk
View more presentations from egonw.
The source code is available under LGPL 2.1 at my GitHub account.
View more presentations from egonw.
The source code is available under LGPL 2.1 at my GitHub account.
Aug
23
First #acs_boston talk: Linking RDF to cheminformatics and proteochemometrics
Linking RDF to cheminformatics and proteochemometrics from Egon Willighagen
Acknowledgements to Samuel and Annzi, two great students!
Acknowledgements to Samuel and Annzi, two great students!
Aug
22
Skyline of #Boston walking to the convention center at 6:45am #acs_boston
Posted via email from Egon's posterous
Aug
17
#ACS_Boston #acsrdf2010 ? It's all about Open Standards!
Less than a week left before the three ACS RDF 2010 sessions! I am both nervous and excited! We really got a great team of speakers together. As a final call for people still not sure if they want to attend, I sent out a few emails. On Monday, we are competing with the big JCIM 50th anniversary, but really, that it's 50 years of old cheminformatics, where our session is about the next 50 year.
Aug
14
Specifying unit test dependencies with JExample
A while ago I asked on StackOverflow about options to specify unit test dependencies. An example from the CDK would be that aromaticity detection in some molecule would require that all atom types are correctly perceived. I could test both in separate unit tests, but with JUnit I cannot have the aromaticity test ignored of the atom typing already failed.
Aug
14
The Molecular Chemometrics Principles #3: stand on shoulders
I have blogged about two Molecular Chemometrics principles so far:
McPrinciple #1: access to data McPrinciple #2: be clear in what you mean Peter's post #solo10: Green Chain Reaction; where to store the data? DSR? IR? BioTorrent, OKF or ??? gives me enough basis to write up a third principle:
Molecular Chemometrics Principles #3: We make scientific progress if we build on past achievements.
McPrinciple #1: access to data McPrinciple #2: be clear in what you mean Peter's post #solo10: Green Chain Reaction; where to store the data? DSR? IR? BioTorrent, OKF or ??? gives me enough basis to write up a third principle:
Molecular Chemometrics Principles #3: We make scientific progress if we build on past achievements.
Aug
12
The Molecular Chemometrics Principles #2: be clear in what you mean
I noted earlier this week that [d]uring the week [in Oxford], someone (name and address is know at the editorial office) commented on the fact that my blog posts are somewhat difficult to follow; that is, it's often not clear why I am posting what I am posting. This triggered the start of a series of principles in the field I coined Molecular Chemometrics, and the promise that I will try to indicate in each blog post to which of these principles it relates.
Aug
10
XHTML+RDFa: chemical examples
Steffen asked me if I could also provide a few examples on how to actually put RDF triples in the HTML, as the template I gave yesterday is a mere empty canvas to draw the triples on. There are actually various examples in my blog, which I will summarize here.
Before I start, I like to put some emphasize on the following RDFa pattern. An RDF resource that serves as subject is always mapped to a HTML element. This can be a div element, but also other elements, as we will see in the example.
Before I start, I like to put some emphasize on the following RDFa pattern. An RDF resource that serves as subject is always mapped to a HTML element. This can be a div element, but also other elements, as we will see in the example.
Aug
9
XHTML+RDFa Template
There was some more discussion on machine readability of notebooks again, something I have blogged about for a long time now.
One technical approach to implement the idea of adding semantic to text in HTML pages is RDFa. But with any technology, scientists seems to have an in-built deficiency of thinking clearly, and anything beyond being able to format your bibliography with the correct bold and italic seems to be a bit much asked.
One technical approach to implement the idea of adding semantic to text in HTML pages is RDFa. But with any technology, scientists seems to have an in-built deficiency of thinking clearly, and anything beyond being able to format your bibliography with the correct bold and italic seems to be a bit much asked.
