Workflows
RetroPath2.0-Mods-isomer-augmentation (2)
Created: 2017-06-30 | Last updated: 2017-12-19
Credits: Thomas Duigou BioRetroSynth
Attributions: RetroPath2.0 - a retrosynthesis workflow with tutorial and example data
Chemical2URIs (1)
Created: 2015-08-18
Chemical structure extractor - img2structure (1)
Created: 2013-05-14 | Last updated: 2013-05-14
Credits: sauberns
Attributions: Chemical term extractor - text2structure
Chemical term extractor - text2structure (1)
Created: 2013-04-22 | Last updated: 2013-04-22
Credits: sauberns
Attributions: Chemical structure extractor - img2structure
Created: 2012-01-18 | Last updated: 2012-01-18
Credits: sauberns
Attributions: RDKit-pains
Download Structures from PubChem given che... (1)
Created: 2011-05-24 | Last updated: 2011-05-24
Credits: Kalai Michael Gerlich
Attributions: Download Entries from PubChem
Extract chemical structures from a Beilste... (1)
Created: 2011-05-12 | Last updated: 2011-05-12
Credits: Egon Willighagen
QSPR Model Discovery -- workflow structure... (2)
Created: 2011-01-18 | Last updated: 2011-01-18
Run OpenTox models on local data. (1)
Created: 2010-11-13 | Last updated: 2010-11-13
Credits: Egon Willighagen
Calculate molecular descriptors with OpenT... (1)
Created: 2010-10-30 | Last updated: 2010-10-30
Credits: Egon Willighagen