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. 2014 May 8;6:21. doi: 10.1186/1758-2946-6-21

Figure 18.

Figure 18

Accounting for the SAR landscape in the prediction confidence. The local prediction for an individual hypothesis uses a kNN model based on the supporting examples. This allows accounting for the SAR landscape in the corresponding region of the chemical space. In this illustration, the query x1 will be predicted positive with high confidence, x2 positive with less confidence and x3 will be predicted negative overruling the hypothesis which can be ignored.