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Cyclotide Structure–Activity Relationships: Qualitative and Quantitative Approaches Linking Cytotoxic and Anthelmintic Activity to the Clustering of Physicochemical Forces

Figure 11

Statistical parameters for the moment plots (LM, EM).

The grayscale values indicate the performance of the QSAR models based on the correlation coefficient (r2) and the cross-validated correlation coefficient for the moment plot. Panels A and B show the values of r2 and for the model describing cyclotide cytotoxicity against the lymphoma cell line, while panels C and D show the r2 and values for anthelmintic activity. Cyclotides whose moment values were below the critical point were placed in the low moment group, while those whose moments exceeded the critical point were placed in the high moment group. The critical points were determined to be (0.03750, 4.5000) and (0.02813, 5.6250) for activity against the U937GTB line and H. contortus, respectively.

Figure 11

doi: https://doi.org/10.1371/journal.pone.0091430.g011