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...

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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
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author Ochoa, Rodrigo
Davies, Mark
Papadatos, George
Atkinson, Francis
Overington, John P.
author_facet Ochoa, Rodrigo
Davies, Mark
Papadatos, George
Atkinson, Francis
Overington, John P.
author_sort Ochoa, Rodrigo
collection PubMed
description 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
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spelling pubmed-38926942014-01-15 myChEMBL: a virtual machine implementation of open data and cheminformatics tools Ochoa, Rodrigo Davies, Mark Papadatos, George Atkinson, Francis Overington, John P. Bioinformatics Applications Notes 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 Oxford University Press 2014-01-15 2013-11-20 /pmc/articles/PMC3892694/ /pubmed/24262214 http://dx.doi.org/10.1093/bioinformatics/btt666 Text en © The Author 2013. Published by Oxford University Press. http://creativecommons.org/licenses/by/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Applications Notes
Ochoa, Rodrigo
Davies, Mark
Papadatos, George
Atkinson, Francis
Overington, John P.
myChEMBL: a virtual machine implementation of open data and cheminformatics tools
title myChEMBL: a virtual machine implementation of open data and cheminformatics tools
title_full myChEMBL: a virtual machine implementation of open data and cheminformatics tools
title_fullStr myChEMBL: a virtual machine implementation of open data and cheminformatics tools
title_full_unstemmed myChEMBL: a virtual machine implementation of open data and cheminformatics tools
title_short myChEMBL: a virtual machine implementation of open data and cheminformatics tools
title_sort mychembl: a virtual machine implementation of open data and cheminformatics tools
topic Applications Notes
url 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
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