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myChEMBL

myChEMBL web interface

The main goal of myChEMBL is to provide an open portal to configure and execute Cheminformatics search protocols, using in background the RDKit Chemical Cartridge and the free available PostgreSQL version of the ChEMBL Database.

To download the current virtual machine which contains this interface, use the following link: ftp://ftp.ebi.ac.uk/pub/databases/chembl/VM/myChEMBL/current

For more information: (Cite) Ochoa R; Davies M; Papadatos G; Atkinson F; Overington J.P. myChEMBL: A virtual machine implementation of open data and cheminformatics tools. Bioinformatics Oxford Journal, 2014, 30(2):298-300.

A complete tutorial based on the Teach-Discover-Treat 2014 contest can be found here:

http://submit.teach-discover-treat.org/download/2014/42_Rodrigo_Ochoa

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