Research article
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
-
* Corresponding author: Peter Ertl peter.ertl@novartis.com
Novartis Institutes for BioMedical Research, Novartis Campus, CH-4002 Basel, Switzerland
Journal of Cheminformatics 2009, 1:8 doi:10.1186/1758-2946-1-8
Published: 10 June 2009Additional files
Additional file 1:
File containing structures of molecules used in the validation process encoded as SMILES, their synthetic feasibility estimated by chemists and calculated SAscores.
Format: TXT Size: 3KB Download file
