论文信息 - myChEMBL: a virtual machine implementation of open data and cheminformatics tools

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

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. 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. Contact: jpo@ebi.ac.uk

George Papadatos | John P. Overington | Mark Davies | Rodrigo Ochoa | Francis Atkinson

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