• General Information




• How to Use: Example with Metaraminol




• Glossary




• References




• Problem In Running Application?

References

1) https://www.ebi.ac.uk/chembl/

2) http://www.daylight.com/dayhtml/doc/theory/theory.finger.html.

3) 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.

4) Rogers, D.; Hahn, M., Extended-Connectivity Fingerprints. J. Chem. Inf. Model 2010, 50, 742-754.

5) 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.

6) 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.

7) M. Awale, J.-L. Reymond, Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17. J. Chem. Inf. Model. 2014,54, 1892-1907.

8) M. Awale, J.-L. Reymond, A multi-fingerprint browser for the ZINC database Nucleic Acids Res. 2014,42, 234-239.