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. 2010 Jul 26;5(7):e11764. doi: 10.1371/journal.pone.0011764

Figure 1. Principle of drugCIPHER.

Figure 1

Drugs are solid nodes and presented by ‘d’; proteins are hollow nodes and presented by ‘p’. A). Drug Therapeutic Similarity (TS) (blue solid edges) and Drug Chemical Similarity (CS) (green solid edges) comprise the pharmacological space. The protein-protein interaction (PPI) (gray solid edges) network represents the information in the genomic space. Together with drug-target interactions (gray dashed edges), the closeness (brown dashed edges) is defined to associate a drug with any arbitrary protein. B). For drug d and protein p, two similarity vectors for d in pharmacological space (TS d and CS d) and one closeness vector for p (Φ p) are constructed. C. The concordance scores between drug d and protein p are computed based on three linear regression models, which assume linear correlations exist between TS d and Φ p, Φ p and CS d, Φ p and the combination of TS d and CS d.