MyChEMBL: A virtual machine implementation of open data and cheminformatics tools

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Abstract

UNLABELLED: myChEMBL is a completely open platform, which combines public domain bioactivity data with open source database and cheminformatics technologies. myChEMBL consists of a Linux (Ubuntu) Virtual Machine featuring a PostgreSQL schema with the latest version of the ChEMBL database, as well as the latest RDKit cheminformatics libraries. In addition, a self-contained web interface is available, which can be modified and improved according to user specifications.<br /><br />AVAILABILITY AND IMPLEMENTATION: The VM is available at: ftp://ftp.ebi.ac.uk/pub/databases/chembl/VM/myChEMBL/current. The web interface and web services code is available at: https://github.com/rochoa85/myChEMBL.

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APA

Ochoa, R., Davies, M., Papadatos, G., Atkinson, F., & Overington, J. P. (2014). MyChEMBL: A virtual machine implementation of open data and cheminformatics tools. Bioinformatics, 30(2), 298–300. https://doi.org/10.1093/bioinformatics/btt666

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