FAF-Drugs -- free ADME/tox filtering of compound collections
What you can do:
Process compound collections via simple ADME/Tox filtering rules.
Highlights:
- FAF-Drugs is an online service based on Frowns (a chemoinformatics toolkit) that allows users to process their own compound collections via simple ADME/Tox filtering rules such as molecular weight, polar surface area, logP or number of rotatable bonds.
- SMILES (Simplified Molecular Input Line Entry System), CANSMILES (canonical smiles) or SDF (structure data file) files are required as input and molecules that pass or do not pass the filters are sent back in CANSMILES format.
- Other utilities and several compound collections suitable for in silico screening are available at our site.
Keywords:
- In silico screening tool
- drug discovery tool
Literature & Tutorials:
This record last updated: 08-05-2006