References
Chemical Development Kit (CDK): [http://sourceforge.net/projects/cdk]
Witten Ian, Frank Eibe: “Data Mining: Practical machine learning tools and techniques”. 2005, Morgan Kaufmann, San Francisco, (2005) [http://www.cs.waikato.ac.nz/ml/weka/], 2nd Edition
Poroikov VV, Filimonov DA, Borodina YV, Lagunin AA, Kos A: Robustness of biological activity spectra predicting by computer program PASS for non-congeneric sets of chemical compounds. J. Chem Inform Comput Sci. 2000, 40 (6): 1349-1355. 10.1021/ci000383k. [http://www.akosgmbh.eu/pass]
Windows Workflow Foundation: [http://msdn2.microsoft.com/en-us/netframework/aa663328.aspx]