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rdkit/Contrib/SA_Score/README
Greg Landrum 740da0d0b9 add sa score
2013-10-02 04:55:34 +02:00

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RDKit-based implementation of the method described in:
Estimation of Synthetic Accessibility Score of Drug-like Molecules based on Molecular Complexity and Fragment Contributions
Peter Ertl and Ansgar Schuffenhauer
Journal of Cheminformatics 1:8 (2009)
http://www.jcheminf.com/content/1/1/8
Contribution from Peter Ertl and Greg Landrum