myChEMBL: a virtual machine implementation of open data and cheminformatics tools.
Where this comes from
- Record sourced from PubMed, PMID 24262214.
- Also identified by DOI 10.1093/bioinformatics/btt666 and PMC identifier 3892694.
- Licence recorded as CC BY.
- The licence permits redistribution, so the abstract is shown in full and the full text is available from the publisher.
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. 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.
Medical subject headings
- Computational Biology
- Databases, Chemical
- Drug Discovery
- Software