Or upload a file(one molecule per file)

Or paste SMILES string :

Algorithms

ANN

Fingerprints  

ECFP6   

This service provides the prediction of CB2 bioactivity according to ANN algorithm with ECFP fingerprint as descriptors.

The prediction is based on the following references:

• Myint KZ, Wang L, Tong Q, Xie XQ."Molecular fingerprint-based artificial neural networks QSAR for ligand biological activity predictions".Mol Pharm. 2012 Oct 1;9(10):2912-23. Epub 2012 Aug 31. PMID:22937990 PMCID:PMC3462244