cheminformatics

iSchool Open Notebook Science Talk

submitted by: jcbradley
This talk covers Open Notebook Science from an information technology perspective. It was presented by Jean-Claude Bradley at the Drexel iSchool on November 11, 2008. Although solubility measurements and chemical reactions are mentioned the focus is more on how information is stored, retrieved and used using free and hosted services such as Blogger, GoogleDocs, Wikispaces, ChemSpider, CDD and others. The UsefulChem project and the Open Notebook Science Challenge are highlighted.

Cheminformatics in Open Notebook Science

submitted by: jcbradley
Jean-Claude Bradley guest lectures on Rajarshi Guha's cheminformatics course at Indiana University. After an introduction to Open Notebook Science and the synthesis of anti-malarial compounds, topics include SMILES, InChIs, InChIKeys, CMLRSS, JCAMP-DX, JSpecView, ExcelVBA, blogs, wikis and Second Life.