Zzzoot

ChemStar (Computed Molecular Data) is an Open Access database of the calculated chemical properties of over 12M substances from PubChem. The process - which demands significant computing power - was done is a distributed fashion using JavaRMI and is described in the paper below. The properties are calculated using three different methods: JChem , JOELIB and MOE . The site allows the perusal of the properties, with a Marvin -based applet for viewing structures. The Java sourcecode for the distributed computing is available . Karthikeyan, M., Krishnan, S., Pandey, A.K., Bender, A., Tropsha, A. (2008). Distributed Chemical Computing Using ChemStar: An Open Source Java Remote Method Invocation Architecture Applied to Large Scale Molecular Data from PubChem. Journal of Chemical Information and Modeling, 48 (4), 691-703. DOI: 10.1021/ci700334f

Putting the Open (and almost live) back into Science In an effort that will surely challenge both other researchers and the Publishers, the Wiki Paper Experiment ( Jean-Claude Bradley ) is performing the research and writing the paper as they go on a wiki dedicated to the project , with a secondary (primary?) experiment being whether any publisher will pick-up the final paper.

Quote Prospect An earlier posting ( Royal Society of Chemistry Semantic Publishing ) of mine has been quoted by the RSC on their Project Prospect ...