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;
ChemWriter Fall 2010 ACS Lightning Talk from Richard Apodaca Above is my slide deck from a Lightning Talk on ChemWriter that I gave at the Fall 2010 ACS. Lightning what, you ask? Lightning talks are short talks, typically given in rapid succession at a conference. To its credit, the CINF division of ACS introduced this new format for talks at the Fall 2010 meeting.
As the size of a chemical structure database increases, so does the need for advanced query tools. A common feature of large structure databases is hitset pruning through the use of query atoms and query bonds. But how should the necessary ‘query structures’ be displayed to chemists? It turns out that different drawing packages use different methods of depiction.
Whyday, a day set aside to celebrate one of the Ruby community’s most prolific and innovative members, is almost here. You know that thing you’ve always wanted to build? The one that doesn’t scale, has no path to ‘monetization’ whatsoever, and would make you look like a fool if you showed it to most of your peers? Yes, that thing. Why not set aside one day this year and actually build it?
For those interested in a closer look at ChemWriter 2, I’ll be giving a presentation at the upcoming Fall ACS in Boston: When: August 23, 2:45PM Where: Boston Convention & Exhibition Center, Room 155. You can get a map of the concourse here.
The long-running ACS court case against cheminformatics company Leadscope continues. In late July ACS filed a memorandum of law seeking further review by the Ohio Supreme court of the Leadscope defamation countersuit: For more, see the recent C&E News article and the Depth-First post linking to documents in prior verdicts.
Ein Fehler ist aufgetreten. JavaScript kann nicht ausgeführt werden. The Problem: A Web page has many chemical names, but no structures. The Solution: Paste the page’s URL into Chemicalize. The page looks the same, but when you hover over a substance name, you get a popup showing the structure (and a link to a structure summary page). Pretty cool, huh?
ChemWriter™ is the chemical structure editor for Web applications. It was designed from the ground up with the strengths and limitations of the Web in mind. Times change and at Metamolecular we’ve been busily creating the next major release of ChemWriter. This is no mere revision, but a complete rewrite of ChemWriter - in JavaScript.
If you want to work with the PubChem dataset, two of your biggest problems will likely be creating a local working copy and keeping it synchronized. Although a few articles on doing just this have appeared here on Depth-First, the information is a bit scattered. Also, some time and effort is required in getting a robust mirroring system in place and working as expected.
Ein Fehler ist aufgetreten. Sieh dir dieses Video auf www.youtube.com an oder aktiviere JavaScript, falls es in deinem Browser deaktiviert sein sollte.
I’d like to invite everyone who will be in Boston for the Fall 2010 ACS Meeting to a symposium on recent progress in chemical structure representation that I’m organizing. The lineup features a mix of academic and industrial scientists, with topics ranging from graphics to file formats/line notations to bioinformatics integration.
