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Tripod Development

Cheminformatics proving ground

Category: ChEMBL

Hopping for success

Hopping for success

Posted on April 17, 2013April 30, 2013 by tripod
Molecular scaffold is a fundamental concept in medicinal chemistry. Perhaps nowhere this is more apparent than during early stage discovery, where scaffolds are the primary means by which medicinal ch... Read More
The human kinome (part 1)

The human kinome (part 1)

Posted on December 30, 2010April 22, 2013 by tripod
Update Nov 27, 2012: The entire source code for this tool is available here. Kinases are an important class of enzymes that are therapeutically relevant for a wide range of indications such as cancer ... Read More
Fragment activity profiler

Fragment activity profiler

Posted on November 28, 2010February 11, 2011 by tripod
A challenging task in early stage lead discovery is the triaging of chemical series from high throughput screening (HTS) assays.  Here triaging is a multiplex problem that seeks to find the balance b... Read More

Links

  • NCATS
  • NCATS on Bitbucket
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  • NCATS on GitHub
  • NCATS Public GitLab

Presentations

  • ACS Spring 2010
  • ACS Spring 2013
  • Chemaxon UGM 2008
  • Chemaxon UGM 2011
  • Chemaxon UGM 2012

Software

  • Automated R-group analysis
  • Fragment activity profiler
  • Kinome navigator
  • Kinome viewer
  • Library synthesizer
  • Molecular framework
  • MolPlot
  • MolSubspace
  • Multiple MCS
  • NCATSFind Firefox Addon
  • PubChem search server
  • Scaffold activity diagram
  • Scaffold hopper
  • Siphonify
  • Spectral hash code
  • Structure standardizer
  • Tautomer generator
  • The NPC browser
  • Tox21 chemical browser

Recent Posts

  • In Memoriam Samuel Aboagye
  • Informatics Post-Doctoral Fellow Position
  • Post-doctoral Position with the IDG Pharos Project
  • Post-doctoral Position in Combination Screening Informatics
  • In memoriam Eric Dawson

Recent Comments

  • Fingerprint Similarity Searches in MongoDB at So much to do, so little time on Large scale substructure searching
  • Accessing Chemistry on the Web Using Firefox at So much to do, so little time on NCATSFind: Resolving Chemical Content in Browser
  • Fingerprint Similarity Searches in MongoDB at So much to do, so little time on Large scale substructure searching
  • Wolf-D. Ihlenfeldt on NCATSFind: Resolving Chemical Content in Browser
  • Accessing Chemistry on the Web Using Firefox at So much to do, so little time on NCATSFind: Resolving Chemical Content in Browser

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