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  Indian J Med Microbiol
 

Figure 2: Plot of experimental versus predicted pKi values for the PCM model. (A) corresponds to12 complexes which have been randomly left-out (red circles) to assess the power of the model for predicting the biological activity of a new compound (Q2EXT). (B) corresponds to 25% external test set (red circles) selected by Kennard-Stone algorithm to perform the external cross-validation (R2pred) test.

Figure 2: Plot of experimental versus predicted pKi values for the PCM model. (A) corresponds to12 complexes which have been randomly left-out (red circles) to assess the power of the model for predicting the biological activity of a new compound (Q2EXT). (B) corresponds to 25% external test set (red circles) selected by Kennard-Stone algorithm to perform the external cross-validation (R2pred) test.