[Flash Content Scrubbed] Definitely worth checking out Node.js.

As recently announced, Alexander (Sandy) Lawson is the winner of the 2011 Herman Skolnik Award. According to the announcement, among Lawson’s recognized achievements is the development of Lawson Numbers as part of the Beilstein System: I have to admit to drawing a blank on reading the term “Lawson Number”. I’ve heard the term before, but what are Lawson Numbers and why should anybody care?

ChemDraw CDX is the native file format of CambridgeSoft’s ChemDraw application. A previous article discussed the importance of ChemDraw CDX to the business and science of chemistry. Another described how to use Open Babel to read (at least in part) CDX files. But if we’re interested in an API for reading and manipulating ChemDraw CDX files with high-fidelity, we’ll need to dig a little deeper into understanding the CDX format.

The previous article in this series gave a brief introduction to the ChemDraw CDX file format. It also described the important role this file format plays in the business and science of chemistry. Given the ubiquity of CDX files, how can we read them in an inexpensive way? This article describes one approach that uses Open Babel. Get Open Babel Open Babel is both a command line utility and a developer toolkit.

Ask just about any chemist which tool they use to create structure drawings that appear in their reports, manuscripts, and patents. The answer is very likely to be ChemDraw. ChemDraw is the industry standard tool for generating publication-quality chemical structure graphics. It uses a native file format called “CDX”, making CDX files a high-profile player in the world of cheminformatics.

Ein Fehler ist aufgetreten. Sieh dir dieses Video auf www.youtube.com an oder aktiviere JavaScript, falls es in deinem Browser deaktiviert sein sollte. Scrum is an approach to project management that emphasizes short iterative cycles. Scrum and Scrum-like approaches are used a lot in software development, particularly when combined with other Agile methodologies, but can be applied to any project.

Choosing the right programming model can play a decisive role in framing the kinds of problems that can be efficiently solved - and as a result the scope of a system. I like how Marko Rodriguez’ presentation (below) helps clarify those situations in which a graph traversal model excels over a relational table model. Chemistry is full of graph relationships at all scales.

I used to have eight 4-inch thick binders containing the many technical papers I refer to. Now I have one. Here’s how I did it. Mendeley lets you create an annotated library from a raw collection of your many papers. Make a single directory, throw in all of your PDFs, and Mendely does the rest. Or at least that’s how I used it. From the documentation: How did I go from binders full of paper to PDFs? Google of course.

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Google, chemistry, and JavaScript. Now how cool is that? Oh, wait a minute.

Chempedia Lab: Group Meeting on a Global Scale from Richard Apodaca The slide deck above is the one I presented at the Fall ACS in Boston discussing Chempedia Lab. Although attendance at the symposium was on the light side, based on the Q&A at the end and discussions afterward I learned that: (1) the idea of Chempedia Lab seems to resonate;