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  Indian J Med Microbiol
 

Figure 2: The three-dimensional scatter plot is a visual representation of the molecules as described by the three selected principal components (PCA1, PCA2, and PCA3). Each point corresponds to a molecule and is colored according to the molecule’s pK i value.

Figure 2: The three-dimensional scatter plot is a visual representation of the molecules as described by the three selected principal components (PCA1, PCA2, and PCA3). Each point corresponds to a molecule and is colored according to the molecule’s p<i>K</i> <sub>i</sub> value.