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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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Bibliografske podrobnosti
Main Authors: Myint, Kyaw-Zeyar, Wang, Lirong, Tong, Qin, Xie, Xiang-Qun
Format: Artigo
Jezik:Inglês
Izdano: 2012
Teme:
Online dostop: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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