Biomedical Engineering Reference
In-Depth Information
Wikipedia [143]. The query results ultimately lead to the relevant lab notebook
pages and raw data for anyone who wants to track the ultimate provenance
of the data [144].
25.4.2
Sponsorship
Sigma-Aldrich sponsored the Challenge by contributing chemicals on an as-
needed basis [145] . The fi rst shipment was sent in February 2009 [146]. In
October 2008 Submeta sponsored the ONS Challenge with ten $500 prizes to
be awarded approximately once a month to students in the United States and
the United Kingdom [147]. In November 2008 Nature committed one year
subscriptions to the
Nature
journal for the fi rst three winners of the ONS
Challenge [148] . The fi rst winner was announced at the end of November 2008
[149]. The Royal Society of Chemistry sponsored another fi ve prizes in March
2010 [150] .
25.4.3
Gaining Experience by Laboratory Rotations
In June 2009 the collaboration evolved to include face-to-face interaction
when a student, David Bulger (February 2009 Submeta Award winner), spent
a few weeks at Drexel with JCB, then with Cameron Neylon (CN) at
Southampton University, to learn laboratory techniques before returning to
Oral Roberts University with AL [151]. The stay at Drexel helped resolve
some issues about the reliability of using NMR to measure solubility [152].
25.4.4
Solubility Modeling and Visualization
Several programmers collaborated with chemists to provide interfaces to the
solubility data set as well as build models. This included a way to intuitively
navigate the data over a Web browser [153, 154] or Second Life [155] and allow
substructure searching [156]. The data set was also converted to resource
description framework (RDF) to extend its use to a broader group [157]. A
solubility model based on Abraham descriptors was made freely available
[158]. Ultimately, both the UsefulChem Reaction Attempts and the ONS
Solubility Challenge databases were combined to generate a Solvent Selection
service that could be used in principle for any reaction where high solubility
of reactants and low solubility of the product are desired [159].
25.4.5
C hem T averna and M y E xperiment
Recently, it was demonstrated that the solubility and reaction Web services
created for the UsefulChem and ONS Solubility Challenge can be integrated
into ChemTaverna and shared on MyExperiment [82]. By putting these tools
into the hands of a vibrant community already using this platform for bioin-
formatics, it is hoped that future collaborations in the area of cheminformatics
will be greatly facilitated.
Search WWH ::
Custom Search