MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data

Mark Davies, Michał Nowotka, George Papadatos, Francis Atkinson, Gerard J. P. Van Westen, Nathan Dedman, Rodrigo Ochoa and John P. Overington
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Mark Davies: European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, CB10 1SD, UK
Michał Nowotka: European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, CB10 1SD, UK
George Papadatos: European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, CB10 1SD, UK
Francis Atkinson: European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, CB10 1SD, UK
Gerard J. P. Van Westen: European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, CB10 1SD, UK
Nathan Dedman: European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, CB10 1SD, UK
Rodrigo Ochoa: Programa de Estudio y Control de Enfermedades Tropicales (PECET), Universidad de Antioquia, Medellín 53-108, Colombia
John P. Overington: European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, CB10 1SD, UK

Challenges, 2014, vol. 5, issue 2, 1-4

Abstract: MyChEMBL is an open virtual platform which provides a free, secure, standardised and easy to use chemoinformatics environment for bioactivity data mining, machine learning, application development, learning and teaching. The main technical features of myChEMBL along with its applications and future plans are discussed here.

Keywords: virtual machine; ChEMBL; open data; RDKit; web services (search for similar items in EconPapers)
JEL-codes: A00 C00 Z00 (search for similar items in EconPapers)
Date: 2014
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Persistent link: https://EconPapers.repec.org/RePEc:gam:jchals:v:5:y:2014:i:2:p:334-337:d:40807

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