References
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http://docking.org
2)
http://www.daylight.com/dayhtml/doc/theory/theory.finger.html.
3)
Rogers, D.; Hahn, M., Extended-Connectivity Fingerprints. J. Chem. Inf. Model 2010, 50, 742-754.
4)
Nguyen, K. T.; Blum, L. C.; van Deursen, R.; Reymond, J. L., Classification of Organic Molecules by Molecular Quantum Numbers. ChemMedChem 2009,4, 1803-1805.
5)
Schwartz, J.; Awale, M.; Reymond, J.-L., SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules. J. Chem. Inf. Model. 2013, 53, 1979-1989.
6)
Ruddigkeit, L.; Blum, L. C.; Reymond, J.-L., Visualization and Virtual Screening of the Chemical Universe Database GDB-17. J. Chem. Inf. Model. 2012, 53, (1), 56-65.
