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. 2021 May 26;13(6):794. doi: 10.3390/pharmaceutics13060794

Table 5.

The top 5 nodes with each link prediction validation label, ranked by lowest HeteSim scores. Lower standardized HeteSim scores corresponds to a stronger relationship. The complete list of top ranked nodes (n = 180, equivalent to the top 20 ranked nodes for each node type) can be found in Supplementary Table S1.

Node Drug Class Node Type Standardized HeteSim Score Predicted Link Pharmacokinetics
Top 5 PROVEN Nodes
Chloroquine glycoproteins big OrganicChemical 0.073 treats Primary
Glycyrrhizic Acid anti-inflammatory OrganicChemical 0.074 treats Primary
Quinine anti-inflammatory OrganicChemical 0.077 treats Primary
Chloroquine antimalarial OrganicChemical 0.077 treats Primary
Fluoroquinolones antimalarial OrganicChemical 0.077 treats Adjunctive
Top 5 DISPROVEN Nodes
Polyamines antimalarial OrganicChemical 0.080 treats Other
Complement System Proteins neuraminidase inhibitors ImmunologicFactor 0.101 prevents Other
Dopamine Receptor neuraminidase inhibitors Receptor 0.103 treats Other
Chemokine (C-C Motif) Receptor 5|CCR5 envelope protein Receptor 0.104 treats Other
Antiviral prophylaxis nucleoside analogs TherapeuticOr PreventiveProcedure 0.107 neg treats Primary
Top 5 UNCLEAR Nodes
small molecule immunomodulators OrganicChemical 0.069 prevents N/A
ebselen anti-inflammatory OrganicChemical 0.077 treats N/A
Fluticasone propionate anti-inflammatory OrganicChemical 0.079 treats N/A
Quinolone Antibacterial Agents anti-inflammatory OrganicChemical 0.082 prevents N/A
Morphine anti-inflammatory OrganicChemical 0.084 treats N/A
Top 5 MISSING Nodes
small molecule glycoproteins big OrganicChemical 0.056 prevents N/A
RABBIT SERUM glycoproteins big OrganicChemical 0.061 N/A N/A
Esters anti-inflammatory OrganicChemical 0.070 N/A N/A
Edetic Acid glycoproteins big OrganicChemical 0.074 treats N/A
small molecule protease inhibitors OrganicChemical 0.075 N/A N/A