Skip to content
  • About
  • NPC
  • Inxight Drugs
  • GINAS
  • Tox21
  • CANVASS
  • Matrix
  • Pharos
  • Publications
  • Projects
  • Students

Tripod Development

Cheminformatics proving ground

Category: fragment

An online version of the Lilly reactivity & promiscuity filters

An online version of the Lilly reactivity & promiscuity filters

Posted on November 3, 2012November 3, 2012 by rajarshi
Recently Bruns & Watson published a paper describing a set of rules to filter out (potenially) reactive and promiscuous small molecules. There are 275 rules addressing a variety of possible reason... Read More
The kinome navigator

The kinome navigator

Posted on April 13, 2011April 22, 2013 by tripod
In a recent paper, Metz et al. describe a statistical framework for constructing the kinome polypharmacology network. Using a large kinase panel (i.e., more than 150,000 activity values across 172 kin... 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
Molecular framework

Molecular framework

Posted on August 25, 2010September 8, 2010 by tripod
Molecular framework forms the basis for which compounds are organized, indexed, and visualized within Tripod.  There are two types of framework currently being generated when compounds are registered... Read More

Links

  • NCATS
  • NCATS on Bitbucket
  • NCATS on DockerHub
  • 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

Meta

  • Log in
  • Entries RSS
  • Comments RSS
  • WordPress.org
  • About
  • NPC
  • Inxight Drugs
  • GINAS
  • Tox21
  • CANVASS
  • Matrix
  • Pharos
  • Publications
  • Projects
  • Students

HHS Vulnerability Disclosure
Theme Designed by InkHive.com. © 2022 Tripod Development. All Rights Reserved.