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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Oxford University Press
2014
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Materias: | |
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 |
format | Online Article Text |
id | pubmed-3892694 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | Oxford University Press |
record_format | MEDLINE/PubMed |
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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