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Figure 4 | Journal of Cheminformatics

Figure 4

From: Supervised extensions of chemography approaches: case studies of chemical liabilities assessment

Figure 4

S-Isomap data visualization for considered datasets (the maps for the best combination of involved approach and descriptor type are given). Each point in the map corresponds to the individual compound (in red, blue - actives, black, green - inactives). In the left column the values of visualization quality assessment parameters are presented for the training set, in the right one – for the test set.

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