Table 1 A classification of systematic drug synergy prediction models

PPI network-based models

Evaluate drug synergy based on network topology relations of targets

Drug targets;

Complex network;

Synergistic drug combinations;

Protein interactions

Network pharmacology

Synergistic targets

Pathway-based models

Simulate the dynamic changes of pathway and identify synergy-specific pathway structures

Drug targets;

Ordinary differential equations;

Dose–response assessment of drug synergy;

Pathway structures;

Network motif recognition

Synergy-specific

Dynamic changes of each pathway component;

network motifs in pathways

Drug interactions

Drug similarity-based models

Construct classification models based on various drug similarities

Drug properties like targets, structures, indication, et al.

Similarity calculation;

Synergistic drug combinations;

Feature selection;

Distinctive features for drug combination

Classification model

Omic-based models

Apply “omic” data to calculate drug associations; or rebuild the synergy-dependent pathways

Responses to drugs in the form of “omic” data

Reverse engineering of biological networks;

Synergistic drug combinations;

“Omic” data similarity calculation;

Biological networks;

Classification model