ChEMBLspace

ChEMBLSpace explores the target-ligand network based on ChEMBL data.

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Description

ChEMBLSpace is a Java application for the visual exploration and analysis of the chemogenomic space extracted from the ChEMBL database. The space is defined as a network whereby the nodes correspond to proteins that have at least one ligand in common with other protein targets. The user can interactively select proteins and list their ligands and then iteratively design an activity profile by adding more targets or anti-targets to the selection and adjusting protein-specific activity thresholds. The molecules that meet the created activity profile are displayed within the application and the full collection can be saved as an SD file.
See publication page:
http://bioinformatics.oxfordjournals.org/content/29/4/523

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User Reviews

  • josearmstrong
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    Thanks for Chemblspace, it's great!

    Posted 06/10/2013
  • masonmorgan
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    good job chemblspace

    Posted 11/02/2012
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Additional Project Details

Registered

2012-10-04
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