In a move likely to up the ante in the emerging Open Source Drug Discovery movement, GlaxoSmithKline have announced the donation of genomic profiling data for over 300 cancer cell lines to the National Cancer Institute’s cancer Bioinformatics Grid (caBIG). According to NCI’s FAQ, caBIG is “an open-source, open-access information network enabling cancer researchers to share tools, data, applications, and technologies according to agreed-upon

OpenAstexViewer is an LGPL-licensed 3D molecular visualization tool written in Java. With the obfuscated jarfile weighing in at 1 MB, OpenAstexViewer could make a good choice for use in Web applications. There are now at least two open source, feature-rich 3D molecular visualization tools written in Java (the other being Jmol). Are there any others? Credit: thanks to Noel O’Boyle for spotting this.

[Video Scrubbed] This short video shows how to use ChemWriter to draw structures quickly with keyboard shortcuts.

ChemWriter 1.3.0 has been released and is ready for download. This version makes it possible to change the mouse cursor hover radius for more accurate drawing. It also adds a setting to disable heteroatom keyboard shortcut events occurring away from a molecule node, reducing the possibility of an off-atom label being inadvertently drawn. For details, see the Metamolecular Company Blog.

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Using what is without question the most unusual (innovative) data visualization technique I’ve ever seen, Postgenomic has created Pubmed Faceoff. The idea is simple: humans have evolved highly sophisticated face recognition abilities; why not exploit this ability in the visualization of multidimensional datasets?

If you’ve ever rented movies from Netflix, you’ve probably noticed the information box that pops up when you hover over a movie image. If you just want a quick peek at what a movie is all about, this simple feature can save a great deal of time and effort in mousing around, clicking, and general navigation annoyance.

The previous article in this series discussed the use of vector graphics markup languages for cheminformatics, in particular for the display of 2D chemical structures. Although vector graphics are well-suited for creating responsive and appealing cheminformatics Web applications, the lack of universal native browser support makes both Scalable Vector Graphics (SVG) and its cousin Vector Markup Language (VML) unattractive at this time.

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Scalable Vector Graphics (SVG) is a technology that enables the creation and publication of high quality images that can be scaled to any resolution. SVG is ideally suited for the Web, and all major browsers now support it - except Internet Explorer (IE). This poses a problem: vector graphics are by far superior to raster images for many applications, but the lack of native IE support makes SVG a non-starter for most developers.

In case you haven’t heard, a new law is now in effect that requires all recipients of NIH funding to deposit copies of their peer-reviewed manuscripts into PubMed Central. There’s just one problem - if your work is published in an ACS journal, it’s the ACS - not you - who owns the right to copy, reformat, and redistribute the manuscript.