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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Identifying new topoisomerase II poison scaffolds by combining publicly available toxicity data and 2D/3D-based virtual screening

Fig. 2

Relation of the three similarity values computed for selected DTP agents. Molecule pairs with high biological activity similarities are shown (\(>0.52\)). Black: high CFP and ROCS similarities (\(>0.34\) and \(>0.52\) respectively), green: low ROCS but high CFP similarity, red: high ROCS but low CFP similarity, blue: low ROCS and CFP similarities

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