AIMC Topic: Databases, Chemical

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Ligand biological activity predictions using fingerprint-based artificial neural networks (FANN-QSAR).

Methods in molecular biology (Clifton, N.J.)
This chapter focuses on the fingerprint-based artificial neural networks QSAR (FANN-QSAR) approach to predict biological activities of structurally diverse compounds. Three types of fingerprints, namely ECFP6, FP2, and MACCS, were used as inputs to t...