title: myChEMBL: a virtual machine implementation of open data and cheminformatics tools.
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.
  
  
  METHODS
  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.
authors.affiliation: European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton CB10 1SD, UK.
authors.forename: Rodrigo
authors.initials: R
authors.lastname: Ochoa
authors.forename: Mark
authors.initials: M
authors.lastname: Davies
authors.forename: George
authors.initials: G
authors.lastname: Papadatos
authors.forename: Francis
authors.initials: F
authors.lastname: Atkinson
authors.forename: John P
authors.initials: JP
authors.lastname: Overington
mesh_terms: D019295:Computational Biology / Q000379:methods*; D062126:Databases, Chemical; D055808:Drug Discovery / Q000379:methods*; D020407:Internet; D054852:Small Molecule Libraries; D012984:Software; D013329:Structure-Activity Relationship
chemical_list: D054852:Small Molecule Libraries