Table 1.
The node and edge statistics of dataset A.
Table 2.
The node and edge statistics of dataset B.
Fig 1.
Overview of the network model.
The green circles represent drug molecules, pink squares represent protein molecules, orange triangles represent diseases, and red pentagons represent side effects. The green and gray tables represent the drug similarity matrix and the purple and blue tables represent the protein similarity matrix. Nd indicates the number of drug nodes, Np indicates the number of protein nodes, fd indicates the length of the drug feature, and fp indicates the length of the protein feature.
Fig 2.
Similarity calculation process.
Fig 3.
Schematic of the random walk algorithm.
The red arrow in the figure indicates that the particle goes to the next step, the green arrow indicates that the particle returns to the previous step, and the pink arrow indicates that the particle stays at the current node.
Fig 4.
Performance of network diffusion algorithms.
The graphs indicate the high and low values of the evaluation indicators. The darker the color the higher the value. The top short line indicates the standard deviation of the ten-fold cross-validation.
Table 3.
Performance of different network diffusion algorithms.
Fig 5.
Comparison of models based on dataset A.
The graphs indicate the high and low values of the evaluation indicators. The darker the color, the higher the value. The top short line indicates the standard deviation of the ten-fold cross-validation.
Fig 6.
Comparison of models based on dataset B.
The graphs indicate the high and low values of the evaluation indicators. The darker the color, the higher the value. The top short line indicates the standard deviation of the ten-fold cross-validation.
Table 4.
Comparison of ISLRWR-DTI with baseline models on dataset A.
Table 5.
Comparison of ISLRWR-DTI with baseline models on dataset B.
Fig 7.
Drug–target interaction network diagram.
The green nodes indicate drugs and the pink nodes indicate targets. Mixed-color arc connections represent node–node interactions. The yellow shadows are used to highlight the network communities that require attention.
Table 6.
Drug efficacy in the shared network of targets NR3C1 and AR.
Table 7.
Drug efficacy in the shared network of targets SCN5A and KCNH2.
Table 8.
Drug efficacy in the shared network of targets OPRD1, OPRK1 and OPRM1.
Table 9.
Prediction results of three drugs Vitamin A, Eletriptan and Olanzapine.
Table 10.
Database search support for new drug target pairs.