Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

doi:10.1186/1758-2946-1-8

Journal of Cheminformatics

Volume 1

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Research article

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

Peter Ertl and Ansgar Schuffenhauer

Novartis Institutes for BioMedical Research, Novartis Campus, CH-4002 Basel, Switzerland

author email corresponding author email

Journal of Cheminformatics 2009, 1:8doi:10.1186/1758-2946-1-8


Published:	10 June 2009

Additional 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