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This blog is a collective open blog for the community to post news, scientific developments and results, comments, opinions, insights, links and discussions related to computer-based predictive toxicology. (For new users: you will also be able to post here once the webmaster has added you to the user group.)

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Knowledge Fair Table B - Drug Discovery Application

Posted by Roman Affentranger at Sep 13, 2010 09:55 PM |

An example of a predictive toxicology application in drug discovery is given using the data on antimalarial compounds made available at the ChEMBL Neglected Tropical Disease (NTD) archive ( The data was imported and made available via a specially installed OpenTox dataset service, to emulate a drug discovery exercise working in a setup separate from public dataset services. OpenTox model services are used for predicting toxicities.

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