Figure 3.

Principal component analysis of molecular descriptors for noncovalent DNA-binding drugs. Two-dimensional representation of loading values and factor scores on principal components 1 and 2 are shown in a rotated space. Component 1 may be labeled "molecular size" while component 2 would be "hydrophilicity-hydrophobicity", with XlogP clearly loading in the hydrophobic part of the axis. Loadings are displayed side-by-side with a representation of the factor scores for the different drugs on the two principal components. Graphical representations correspond to the analysis of all fifteen noncovalent DNA-binding drugs (A) (B), intercalators (C) (D), and the 'M-region' compounds (E) (F), respectively.