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. Author manuscript; available in PMC: 2011 Oct 26.
Published in final edited form as: ACS Nano. 2010 Oct 26;4(10):5703–5712. doi: 10.1021/nn1013484

Table 2.

Case Study 1 - QNAR modeling of the biological effects for 44 MNPs.

Fold MODELING SET EXTERNAL SET
#
MNPs 		# Models % Accuracy
internal
5-fold CV		 % Accuracy #
MNPs 		% Accuracy % Sensitivity % Specificity
1 35 11 51.4 – 60.0 71.4 – 82.9 9 78 67 100
2 35 13 51.4 – 60.0 71.4 – 77.1 9 78 50 100
3 35 16 57.1 – 62.9 74.3 – 82.9 9 78 80 75
4 35 11 60.0 – 62.9 77.1 – 88.6 9 56 50 60
5 36 4 66.7 83.3 – 86.1 8 88 33 100
44 73 60 86