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Figure 1 | Journal of Cheminformatics

Figure 1

From: The influence of negative training set size on machine learning-based virtual screening

Figure 1

The dependence of negative training set size on machine learning-based virtual screening performance for 2 types of fingerprints and 3 protein targets, averaged over 10 independent trials. The colored lines denote the type of evaluated parameter used (blue – recall, red – precision and green – MCC). The figure presents the values of evaluating parameters (recall, precision and MCC) obtained in the experiments carried out for sets with fixed number of active molecules and varying number of inactives.

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