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Oxford University Press (OUP), Bioinformatics, 2(30), p. 298-300

DOI: 10.1093/bioinformatics/btt666

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myChEMBL: a virtual machine implementation of open data and cheminformatics tools

Journal article published in 2013 by Rodrigo Ochoa ORCID, Mark Davies, George Papadatos, Francis Atkinson, Overington Jp, John P. Overington
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Summary: 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.