Figure 2.

Generating a drug–drug interactions (DDI) similarity model through combination of the DrugBank interaction database and molecular fingerprint-based modeling. In step 1, interaction matrix M₁ is created where the interactions in DrugBank are represented as ‘1’. In step 2, the similarity matrix M₂ is created based on the Tanimoto coefficient values. In step 3, M₁×M₂ is performed, the maximum value for each entry is retained, and the final matrix, M₃, is formed based on a symmetry-based transformation (retrieved interactions from M₁ when TC>0.75 are represented in red, new predicted interactions with TC>0.75 are represented in blue, and non-retrieved interactions from M₁ when TC>0.75 are represented in green). Values in the diagonal of all the matrices are 0 because the interaction of a drug with itself is not considered.