Workflows
Indigo-pains (2)
Created: 2011-06-07 | Last updated: 2015-12-01
Credits: sauberns
Attributions: RDKit-pains
RDKit-pains (4)
Created: 2011-02-07 | Last updated: 2015-11-19
Credits: sauberns
Attributions: Indigo-pains
Download from ChemSpider using Accurate Mass (2)
Created: 2007-11-26 | Last updated: 2008-02-05
Credits: Egon Willighagen
RetroPath2.0-Mods-metabolomics (2)
Created: 2017-06-30 | Last updated: 2018-11-14
Credits: Thomas Duigou BioRetroSynth
Attributions: RetroPath2.0 - a retrosynthesis workflow with tutorial and example data
Visualize Molecules from DBPedia as Molecu... (3)
Created: 2010-03-14
Credits: Egon Willighagen
Open PDB entries in Jmol for hits found fo... (3)
Created: 2010-03-14 | Last updated: 2010-06-23
Credits: Egon Willighagen
Created: 2011-10-13 | Last updated: 2015-12-01
Credits: sauberns
Attributions: RDKit-pains
Download QSAR data sets using the OpenTox ... (1)
Created: 2010-03-22
Credits: Egon Willighagen
Kabsch Alignment of Small Molecules (1)
Created: 2009-10-30
Credits: Egon Willighagen
Download CAS numbers and save as SD file (1)
Created: 2009-10-15
Credits: Egon Willighagen