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. Author manuscript; available in PMC: 2013 Oct 1.
Published in final edited form as: Mol Pharm. 2012 Aug 31;9(10):2912–2923. doi: 10.1021/mp300237z

Table 3.

A summary of the performance of each FANN-QSAR model on CB2 ligand data set.

Round r2 training r2 test
ECFP6-ANN-QSAR
1 0.86 0.55
2 0.81 0.63
3 0.87 0.53
4 0.84 0.56
5 0.89 0.54
FP2-ANN-QSAR
1 0.78 0.55
2 0.74 0.60
3 0.74 0.38
4 0.77 0.46
5 0.79 0.40
MACCS-ANN-QSAR
1 0.74 0.48
2 0.72 0.53
3 0.74 0.37
4 0.74 0.47
5 0.75 0.41