Detection of Drug-Drug Interactions by Modeling Interaction Profile Fingerprints
Figure 2
The model generates interactions through the multiplication of the matrix M1 (Established DDI matrix) by the matrix M2 (Interaction profile similarity matrix.
Note that each cell shows the TC between drugs A, B and C but interactions with more drugs are considered to calculate the TC value). The values in the diagonal of the matrices are set 0 since drug interactions with themselves are not taken into account. In the final matrix M3 only the maximum value in the multiplication-array in each cell is preserved and a symmetry-based transformation is carried out retaining the highest TC value. In the example, the initial interactions A–B and A–C (red color) have a TC score of 0.9 in the matrix M3. The system generated a new predicted interaction between B and C with a TC score of 0.8 (green color).