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 th...

Descripción completa

Detalles Bibliográficos
Autores principales: Ochoa, Rodrigo, Davies, Mark, Papadatos, George, Atkinson, Francis, Overington, John P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2014
Materias:
Applications Notes
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3892694/
https://www.ncbi.nlm.nih.gov/pubmed/24262214
http://dx.doi.org/10.1093/bioinformatics/btt666
Descripción
Sumario: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

Ejemplares similares