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CSgator: an integrated web platform for compound set analysis
- Title
- CSgator: an integrated web platform for compound set analysis
- Authors
- Park, Sera; Kwon, Yeajee; Jung, Hyesoo; Jang, Sukyung; Lee, Haeseung; Kim, Wankyu
- Ewha Authors
- 김완규
- SCOPUS Author ID
- 김완규
- Issue Date
- 2019
- Journal Title
- JOURNAL OF CHEMINFORMATICS
- ISSN
- 1758-2946
- Citation
- JOURNAL OF CHEMINFORMATICS vol. 11
- Keywords
- Compound set analysis; Drug target; Bioactivity profile; Bioassay; Compound network
- Publisher
- BMC
- Indexed
- SCIE; SCOPUS
- Document Type
- Article
- Abstract
- Drug discovery typically involves investigation of a set of compounds (e.g. drug screening hits) in terms of target, disease, and bioactivity. CSgator is a comprehensive analytic tool for set-wise interpretation of compounds. It has two unique analytic features of Compound Set Enrichment Analysis (CSEA) and Compound Cluster Analysis (CCA), which allows batch analysis of compound set in terms of (i) target, (ii) bioactivity, (iii) disease, and (iv) structure. CSEA and CCA present enriched profiles of targets and bioactivities in a compound set, which leads to novel insights on underlying drug mode-of-action, and potential targets. Notably, we propose a novel concept of Hit Enriched Assays, i.e. bioassays of which hits are enriched among a given set of compounds. As an example, we show its utility in revealing drug mode-of-action or identifying hidden targets for anti-lymphangiogenesis screening hits. CSgator is available at http://csgator.ewha.ac.kr, and most analytic results are downloadable.
- DOI
- 10.1186/s13321-019-0339-6
- Appears in Collections:
- 자연과학대학 > 생명과학전공 > Journal papers
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