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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: Computational methods for prediction of in vitro effects of new chemical structures

Fig. 4

Analysis of chemical space used by descriptors for classification of actives in external sets for ER-LBD target. The above figure shows the different actives present in the external set of ER-LBD. The compounds highlighted in pink (MACCS), green (ECFP4) are predicted by RF model and blue (ECFP4), red (MACCS) are predicted by NB models. The respective prediction scores for each classifier are shown in Table 2

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