A large-scale crop protection bioassay data set-Reference-Cited by-同舟云学术

A large-scale crop protection bioassay data set

Published:2015-07-07 Issue:1 Volume:2 Page:
ISSN:2052-4463
Container-title:Scientific Data
language:en
Short-container-title:Sci Data

Author:

Gaulton Anna,Kale Namrata,van Westen Gerard J. P.,Bellis Louisa J.,Bento A. Patrícia,Davies Mark,Hersey Anne,Papadatos George,Forster Mark,Wege Philip,Overington John P.

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Statistics, Probability and Uncertainty,Computer Science Applications,Education,Information Systems,Statistics and Probability

Link

http://www.nature.com/articles/sdata201532.pdf

Reference46 articles.

1. Bento, A. P. et al. The ChEMBL bioactivity database: an update. Nucleic Acids Res. 42, D1083–D1090 (2014).

2. Gaulton, A. et al. ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 40, D1100–D1107 (2012).

3. Besnard, J. et al. Automated design of ligands to polypharmacological profiles. Nature 492, 215–220 (2012).

4. Dimova, D., Stumpfe, D. & Bajorath, J. Systematic assessment of coordinated activity cliffs formed by kinase inhibitors and detailed characterization of activity cliff clusters and associated SAR information. Eur. J. Med. Chem. 90, 414–427 (2015).

5. Gfeller, D. et al. SwissTargetPrediction: a web server for target prediction of bioactive small molecules. Nucleic Acids Res. 42, W32–W38 (2014).

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