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

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

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

Author(s) -

Rodrigo Ochoa,

Mark Davies,

George Papadatos,

Francis Atkinson,

John P. Overington

Publication year - 2013

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btt666

Subject(s) - cheminformatics , computer science , open source , virtual screening , software , data science , data mining , software engineering , machine learning , world wide web , artificial intelligence , operating system , bioinformatics , drug discovery , biology

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.

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