Dataset Information

Bioactivity-explorer: a web application for interactive visualization and exploration of bioactivity data.

ABSTRACT: To better leverage the accumulated bioactivity data in the ChEMBL database, we have developed Bioactivity-explorer, a web application for interactive visualization and exploration of the large-scale bioactivity data in ChEMBL. Mining and integration of the Therapeutic Target Database disease-target mapping into the ChEMBL database has enabled Bioactivity-explorer to include 493,430 scaffolds, 31,400,000 matched molecular pairs, 1330,220 target-target interactions in terms of shared active compounds, 4526,718 target-target interactions in terms of shared active scaffolds, 97,041,700 molecule-molecule interactions and 14,974 disease-target mappings. This web tool is available at http://cadd.pharmacy.nankai.edu.cn/b17r . The source codes of the front end and back end, released under MIT license, can be found at GitHub.

SUBMITTER: Liang L

PROVIDER: S-EPMC6617623 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature

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Bioactivity-explorer: a web application for interactive visualization and exploration of bioactivity data.

Liang Lu L Ma Chunfeng C Du Tengfei T Zhao Yufei Y Zhao Xiaoyong X Liu Mengmeng M Wang Zhonghua Z Lin Jianping J

Journal of cheminformatics 20190710 1

To better leverage the accumulated bioactivity data in the ChEMBL database, we have developed Bioactivity-explorer, a web application for interactive visualization and exploration of the large-scale bioactivity data in ChEMBL. Mining and integration of the Therapeutic Target Database disease-target mapping into the ChEMBL database has enabled Bioactivity-explorer to include 493,430 scaffolds, 31,400,000 matched molecular pairs, 1330,220 target-target interactions in terms of shared active compou ...[more]

PMID: 31292807

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Dataset Information

Bioactivity-explorer: a web application for interactive visualization and exploration of bioactivity data.

Publications

Bioactivity-explorer: a web application for interactive visualization and exploration of bioactivity data.

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