[OTDev] QSAR-ML, Bioclipse-OpenTox potential

Barry Hardy barry.hardy at douglasconnect.com
Mon Aug 16 17:36:52 CEST 2010


Dear All:

Just in case you had missed it there is a recent paper on J Cheminfo 
proposing a QSAR-ML approach with supporting tools and including authors 
on this list (Egon, Rajarshi):

Towards interoperable and reproducible QSAR analyses: Exchange of datasets
Ola Spjuth, Egon L Willighagen, Rajarshi Guha, Martin Eklund, Jarl ES 
Wikberg
Journal of Cheminformatics 2010, 2:5 (30 June 2010)
http://www.jcheminf.com/content/2/1/5

As indicated by discussions with Egon, there should be good 
opportunities for Bioclipse and OpenTox to leverage each other and 
progress common goals on interoperability and data integration, 
especially with regards to predictive tox applications. Egon was working 
on some initial steps on this with Nina during our recent workshop in 
Oxford (and may have an update .. at some point!).

Barry




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