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Molecular Fingerprint-based Artificial Neural Networks QSAR for Ligand Biological Activity Predictions
In this manuscript, we have reported a novel 2D fingerprint-based artificial neural network QSAR (FANN-QSAR) method in order to effectively predict biological activities of structurally diverse chemical ligands. Three different types of fingerprints, namely ECFP6, FP2 and MACCS, were used in FANN-QS...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2012
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3462244/ https://ncbi.nlm.nih.gov/pubmed/22937990 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/mp300237z |
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