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Journal ArticleOPEN ACCESS

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

Bioinformatics (2014) 30(2) 298-300
DOI: 10.1093/bioinformatics/btt666
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Abstract

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. © 2013 The Author.

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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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