Literature DB >> 23257198

ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database.

Nikolas Fechner1, George Papadatos, David Evans, John Richard Morphy, Suzanne Clare Brewerton, David Thorner, Michael Bodkin.   

Abstract

MOTIVATION: The ChEMBLSpace graphical explorer enables the identification of compounds from the ChEMBL database, which exhibit a desirable polypharmacology profile. This profile can be predefined or created iteratively, and the tool can be extended to other data sources.

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Year:  2012        PMID： 23257198     DOI： 10.1093/bioinformatics/bts711

Source DB:  PubMed          Journal:  Bioinformatics        ISSN： 1367-4803            Impact factor:   6.937


  4 in total

Review 1.  An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines.

Authors:  Andrea de Souza; Joshua A Bittker; David L Lahr; Steve Brudz; Simon Chatwin; Tudor I Oprea; Anna Waller; Jeremy J Yang; Noel Southall; Rajarshi Guha; Stephan C Schürer; Uma D Vempati; Mark R Southern; Eric S Dawson; Paul A Clemons; Thomas D Y Chung
Journal:  J Biomol Screen       Date:  2014-01-17

2.  GPCR structure, function, drug discovery and crystallography: report from Academia-Industry International Conference (UK Royal Society) Chicheley Hall, 1-2 September 2014.

Authors:  Alexander Heifetz; Gebhard F X Schertler; Roland Seifert; Christopher G Tate; Patrick M Sexton; Vsevolod V Gurevich; Daniel Fourmy; Vadim Cherezov; Fiona H Marshall; R Ian Storer; Isabel Moraes; Irina G Tikhonova; Christofer S Tautermann; Peter Hunt; Tom Ceska; Simon Hodgson; Mike J Bodkin; Shweta Singh; Richard J Law; Philip C Biggin
Journal:  Naunyn Schmiedebergs Arch Pharmacol       Date:  2015-03-14       Impact factor: 3.000

3.  Probing the chemical-biological relationship space with the Drug Target Explorer.

Authors:  Robert J Allaway; Salvatore La Rosa; Justin Guinney; Sara J C Gosline
Journal:  J Cheminform       Date:  2018-08-20       Impact factor: 5.514

Review 4.  Entering the 'big data' era in medicinal chemistry: molecular promiscuity analysis revisited.

Authors:  Ye Hu; Jürgen Bajorath
Journal:  Future Sci OA       Date:  2017-03-06
  4 in total

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