[OTDev] QSAR-ML, Bioclipse-OpenTox potential
Barry Hardy barry.hardy at douglasconnect.comMon Aug 16 17:36:52 CEST 2010
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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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