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Bioactivity-explorer: a web application for interactive visualization and exploration of bioactivity data
- Source :
- Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-6 (2019), Journal of Cheminformatics
- Publication Year :
- 2019
- Publisher :
- Springer Science and Business Media LLC, 2019.
-
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. Electronic supplementary material The online version of this article (10.1186/s13321-019-0370-7) contains supplementary material, which is available to authorized users.
- Subjects :
- 0301 basic medicine
Web server
Source code
Computer science
media_common.quotation_subject
ChEMBL
Library and Information Sciences
computer.software_genre
01 natural sciences
lcsh:Chemistry
World Wide Web
Front and back ends
03 medical and health sciences
Web application
Leverage (statistics)
Physical and Theoretical Chemistry
MIT License
Interactive visualization
media_common
lcsh:T58.5-58.64
lcsh:Information technology
business.industry
chEMBL
Computer Graphics and Computer-Aided Design
Matched molecular pair
0104 chemical sciences
Computer Science Applications
010404 medicinal & biomolecular chemistry
030104 developmental biology
lcsh:QD1-999
business
Molecule scaffold
computer
Software
Network pharmacology
Subjects
Details
- ISSN :
- 17582946
- Volume :
- 11
- Database :
- OpenAIRE
- Journal :
- Journal of Cheminformatics
- Accession number :
- edsair.doi.dedup.....38b84515216115975736d5175fc0db86