Comparison of MSDAFL with other DDI prediction methods on training, validation and testing sets in a ratio of 8:1:1.a
| Dataset . | Metric . | MR-GNN . | GCN-BMP . | EPGCN-DS . | DeepDrug . | MIRACLE . | SSI-DDI . | CSGNN . | DeepDDS . | DSN-DDI . | HTCL-DDI . | MSDAFL . |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ZhangDDI | AUROC | 0.9434 ± 0.0015 | 0.8512 ± 0.0159 | 0.9043 ± 0.0018 | 0.9477 ± 0.0009 | 0.8914 ± 0.0021 | 0.9279 ± 0.0025 | 0.9871 ± 0.0012 | 0.9212 ± 0.0034 | 0.7113 ± 0.0035 | 0.9882 ± 0.0031 | 0.9912 ± 0.0012 |
| AP | 0.9133 ± 0.0052 | 0.8220 ± 0.0201 | 0.8996 ± 0.0065 | 0.9351 ± 0.0042 | 0.9312 ± 0.0043 | 0.8913 ± 0.0074 | 0.9712 ± 0.0087 | 0.9031 ± 0.0012 | 0.6756 ± 0.0045 | 0.9514 ± 0.0048 | 0.9907 ± 0.0033 | |
| F1 | 0.8463 ± 0.0074 | 0.7086 ± 0.0154 | 0.7958 ± 0.0046 | 0.8473 ± 0.0012 | 0.9282 ± 0.0017 | 0.8412 ± 0.0034 | 0.8731 ± 0.0034 | 0.8412 ± 0.0075 | 0.6712 ± 0.0031 | 0.9219 ± 0.0056 | 0.9405 ± 0.0014 | |
| ACC | 0.8884 ± 0.0099 | 0.7675 ± 0.0098 | 0.8212 ± 0.0064 | 0.8753 ± 0.0055 | 0.9391 ± 0.0014 | 0.8132 ± 0.0062 | 0.8992 ± 0.0014 | 0.8812 ± 0.0034 | 0.6513 ± 0.0034 | 0.9568 ± 0.0031 | 0.9553 ± 0.0012 | |
| ChCh-Mainer | AUROC | 0.9451 ± 0.0009 | 0.7762 ± 0.0081 | 0.9015 ± 0.0064 | 0.9902 ± 0.0020 | 0.9540 ± 0.0012 | 0.9809 ± 0.0014 | 0.9912 ± 0.0035 | 0.9717 ± 0.0073 | 0.9218 ± 0.0032 | 0.9836 ± 0.0021 | 0.9964 ± 0.0021 |
| AP | 0.9605 ± 0.0069 | 0.8351 ± 0.0071 | 0.9590 ± 0.0013 | 0.9874 ± 0.0015 | 0.9810 ± 0.0023 | 0.9897 ± 0.0006 | 0.9831 ± 0.0034 | 0.9881 ± 0.0012 | 0.9112 ± 0.0032 | 0.9931 ± 0.0012 | 0.9988 ± 0.0009 | |
| F1 | 0.9023 ± 0.0122 | 0.7187 ± 0.0054 | 0.8741 ± 0.0046 | 0.9323 ± 0.0051 | 0.9712 ± 0.0062 | 0.9398 ± 0.0034 | 0.9271 ± 0.0022 | 0.9331 ± 0.0051 | 0.8432 ± 0.0014 | 0.9701 ± 0.0021 | 0.9911 ± 0.0021 | |
| ACC | 0.8653 ± 0.0058 | 0.7543 ± 0.0019 | 0.8061 ± 0.0074 | 0.9216 ± 0.0071 | 0.9534 ± 0.0032 | 0.9219 ± 0.0048 | 0.8912 ± 0.0064 | 0.9151 ± 0.0043 | 0.8465 ± 0.0012 | 0.9513 ± 0.0013 | 0.9850 ± 0.0022 | |
| DeepDDI | AUROC | 0.9402 ± 0.0041 | 0.7412 ± 0.0085 | 0.8393 ± 0.0054 | 0.9062 ± 0.0043 | 0.8965 ± 0.0023 | 0.9429 ± 0.0025 | 0.9531 ± 0.0035 | 0.9056 ± 0.0019 | 0.7412 ± 0.0031 | 0.9152 ± 0.0022 | 0.9954 ± 0.0014 |
| AP | 0.9514 ± 0.0065 | 0.8023 ± 0.0054 | 0.8566 ± 0.0066 | 0.9444 ± 0.0045 | 0.9471 ± 0.0044 | 0.9213 ± 0.0074 | 0.9411 ± 0.0030 | 0.9217 ± 0.0085 | 0.7213 ± 0.0041 | 0.8921 ± 0.0014 | 0.9937 ± 0.0022 | |
| F1 | 0.9052 ± 0.0053 | 0.7745 ± 0.0056 | 0.8214 ± 0.0061 | 0.8639 ± 0.0036 | 0.9352 ± 0.0065 | 0.8712 ± 0.0034 | 0.8355 ± 0.0019 | 0.8951 ± 0.0064 | 0.6060 ± 0.0015 | 0.8828 ± 0.0008 | 0.9821 ± 0.0023 | |
| ACC | 0.8873 ± 0.0074 | 0.6444 ± 0.0056 | 0.7023 ± 0.0059 | 0.8021 ± 0.0058 | 0.9042 ± 0.0086 | 0.8632 ± 0.0062 | 0.8413 ± 0.0023 | 0.8552 ± 0.0012 | 0.6634 ± 0.0017 | 0.8694 ± 0.0043 | 0.9812 ± 0.0024 |
| Dataset . | Metric . | MR-GNN . | GCN-BMP . | EPGCN-DS . | DeepDrug . | MIRACLE . | SSI-DDI . | CSGNN . | DeepDDS . | DSN-DDI . | HTCL-DDI . | MSDAFL . |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ZhangDDI | AUROC | 0.9434 ± 0.0015 | 0.8512 ± 0.0159 | 0.9043 ± 0.0018 | 0.9477 ± 0.0009 | 0.8914 ± 0.0021 | 0.9279 ± 0.0025 | 0.9871 ± 0.0012 | 0.9212 ± 0.0034 | 0.7113 ± 0.0035 | 0.9882 ± 0.0031 | 0.9912 ± 0.0012 |
| AP | 0.9133 ± 0.0052 | 0.8220 ± 0.0201 | 0.8996 ± 0.0065 | 0.9351 ± 0.0042 | 0.9312 ± 0.0043 | 0.8913 ± 0.0074 | 0.9712 ± 0.0087 | 0.9031 ± 0.0012 | 0.6756 ± 0.0045 | 0.9514 ± 0.0048 | 0.9907 ± 0.0033 | |
| F1 | 0.8463 ± 0.0074 | 0.7086 ± 0.0154 | 0.7958 ± 0.0046 | 0.8473 ± 0.0012 | 0.9282 ± 0.0017 | 0.8412 ± 0.0034 | 0.8731 ± 0.0034 | 0.8412 ± 0.0075 | 0.6712 ± 0.0031 | 0.9219 ± 0.0056 | 0.9405 ± 0.0014 | |
| ACC | 0.8884 ± 0.0099 | 0.7675 ± 0.0098 | 0.8212 ± 0.0064 | 0.8753 ± 0.0055 | 0.9391 ± 0.0014 | 0.8132 ± 0.0062 | 0.8992 ± 0.0014 | 0.8812 ± 0.0034 | 0.6513 ± 0.0034 | 0.9568 ± 0.0031 | 0.9553 ± 0.0012 | |
| ChCh-Mainer | AUROC | 0.9451 ± 0.0009 | 0.7762 ± 0.0081 | 0.9015 ± 0.0064 | 0.9902 ± 0.0020 | 0.9540 ± 0.0012 | 0.9809 ± 0.0014 | 0.9912 ± 0.0035 | 0.9717 ± 0.0073 | 0.9218 ± 0.0032 | 0.9836 ± 0.0021 | 0.9964 ± 0.0021 |
| AP | 0.9605 ± 0.0069 | 0.8351 ± 0.0071 | 0.9590 ± 0.0013 | 0.9874 ± 0.0015 | 0.9810 ± 0.0023 | 0.9897 ± 0.0006 | 0.9831 ± 0.0034 | 0.9881 ± 0.0012 | 0.9112 ± 0.0032 | 0.9931 ± 0.0012 | 0.9988 ± 0.0009 | |
| F1 | 0.9023 ± 0.0122 | 0.7187 ± 0.0054 | 0.8741 ± 0.0046 | 0.9323 ± 0.0051 | 0.9712 ± 0.0062 | 0.9398 ± 0.0034 | 0.9271 ± 0.0022 | 0.9331 ± 0.0051 | 0.8432 ± 0.0014 | 0.9701 ± 0.0021 | 0.9911 ± 0.0021 | |
| ACC | 0.8653 ± 0.0058 | 0.7543 ± 0.0019 | 0.8061 ± 0.0074 | 0.9216 ± 0.0071 | 0.9534 ± 0.0032 | 0.9219 ± 0.0048 | 0.8912 ± 0.0064 | 0.9151 ± 0.0043 | 0.8465 ± 0.0012 | 0.9513 ± 0.0013 | 0.9850 ± 0.0022 | |
| DeepDDI | AUROC | 0.9402 ± 0.0041 | 0.7412 ± 0.0085 | 0.8393 ± 0.0054 | 0.9062 ± 0.0043 | 0.8965 ± 0.0023 | 0.9429 ± 0.0025 | 0.9531 ± 0.0035 | 0.9056 ± 0.0019 | 0.7412 ± 0.0031 | 0.9152 ± 0.0022 | 0.9954 ± 0.0014 |
| AP | 0.9514 ± 0.0065 | 0.8023 ± 0.0054 | 0.8566 ± 0.0066 | 0.9444 ± 0.0045 | 0.9471 ± 0.0044 | 0.9213 ± 0.0074 | 0.9411 ± 0.0030 | 0.9217 ± 0.0085 | 0.7213 ± 0.0041 | 0.8921 ± 0.0014 | 0.9937 ± 0.0022 | |
| F1 | 0.9052 ± 0.0053 | 0.7745 ± 0.0056 | 0.8214 ± 0.0061 | 0.8639 ± 0.0036 | 0.9352 ± 0.0065 | 0.8712 ± 0.0034 | 0.8355 ± 0.0019 | 0.8951 ± 0.0064 | 0.6060 ± 0.0015 | 0.8828 ± 0.0008 | 0.9821 ± 0.0023 | |
| ACC | 0.8873 ± 0.0074 | 0.6444 ± 0.0056 | 0.7023 ± 0.0059 | 0.8021 ± 0.0058 | 0.9042 ± 0.0086 | 0.8632 ± 0.0062 | 0.8413 ± 0.0023 | 0.8552 ± 0.0012 | 0.6634 ± 0.0017 | 0.8694 ± 0.0043 | 0.9812 ± 0.0024 |
The superior results are emphasized in bold, while the second-best results are underlined.
Comparison of MSDAFL with other DDI prediction methods on training, validation and testing sets in a ratio of 8:1:1.a
| Dataset . | Metric . | MR-GNN . | GCN-BMP . | EPGCN-DS . | DeepDrug . | MIRACLE . | SSI-DDI . | CSGNN . | DeepDDS . | DSN-DDI . | HTCL-DDI . | MSDAFL . |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ZhangDDI | AUROC | 0.9434 ± 0.0015 | 0.8512 ± 0.0159 | 0.9043 ± 0.0018 | 0.9477 ± 0.0009 | 0.8914 ± 0.0021 | 0.9279 ± 0.0025 | 0.9871 ± 0.0012 | 0.9212 ± 0.0034 | 0.7113 ± 0.0035 | 0.9882 ± 0.0031 | 0.9912 ± 0.0012 |
| AP | 0.9133 ± 0.0052 | 0.8220 ± 0.0201 | 0.8996 ± 0.0065 | 0.9351 ± 0.0042 | 0.9312 ± 0.0043 | 0.8913 ± 0.0074 | 0.9712 ± 0.0087 | 0.9031 ± 0.0012 | 0.6756 ± 0.0045 | 0.9514 ± 0.0048 | 0.9907 ± 0.0033 | |
| F1 | 0.8463 ± 0.0074 | 0.7086 ± 0.0154 | 0.7958 ± 0.0046 | 0.8473 ± 0.0012 | 0.9282 ± 0.0017 | 0.8412 ± 0.0034 | 0.8731 ± 0.0034 | 0.8412 ± 0.0075 | 0.6712 ± 0.0031 | 0.9219 ± 0.0056 | 0.9405 ± 0.0014 | |
| ACC | 0.8884 ± 0.0099 | 0.7675 ± 0.0098 | 0.8212 ± 0.0064 | 0.8753 ± 0.0055 | 0.9391 ± 0.0014 | 0.8132 ± 0.0062 | 0.8992 ± 0.0014 | 0.8812 ± 0.0034 | 0.6513 ± 0.0034 | 0.9568 ± 0.0031 | 0.9553 ± 0.0012 | |
| ChCh-Mainer | AUROC | 0.9451 ± 0.0009 | 0.7762 ± 0.0081 | 0.9015 ± 0.0064 | 0.9902 ± 0.0020 | 0.9540 ± 0.0012 | 0.9809 ± 0.0014 | 0.9912 ± 0.0035 | 0.9717 ± 0.0073 | 0.9218 ± 0.0032 | 0.9836 ± 0.0021 | 0.9964 ± 0.0021 |
| AP | 0.9605 ± 0.0069 | 0.8351 ± 0.0071 | 0.9590 ± 0.0013 | 0.9874 ± 0.0015 | 0.9810 ± 0.0023 | 0.9897 ± 0.0006 | 0.9831 ± 0.0034 | 0.9881 ± 0.0012 | 0.9112 ± 0.0032 | 0.9931 ± 0.0012 | 0.9988 ± 0.0009 | |
| F1 | 0.9023 ± 0.0122 | 0.7187 ± 0.0054 | 0.8741 ± 0.0046 | 0.9323 ± 0.0051 | 0.9712 ± 0.0062 | 0.9398 ± 0.0034 | 0.9271 ± 0.0022 | 0.9331 ± 0.0051 | 0.8432 ± 0.0014 | 0.9701 ± 0.0021 | 0.9911 ± 0.0021 | |
| ACC | 0.8653 ± 0.0058 | 0.7543 ± 0.0019 | 0.8061 ± 0.0074 | 0.9216 ± 0.0071 | 0.9534 ± 0.0032 | 0.9219 ± 0.0048 | 0.8912 ± 0.0064 | 0.9151 ± 0.0043 | 0.8465 ± 0.0012 | 0.9513 ± 0.0013 | 0.9850 ± 0.0022 | |
| DeepDDI | AUROC | 0.9402 ± 0.0041 | 0.7412 ± 0.0085 | 0.8393 ± 0.0054 | 0.9062 ± 0.0043 | 0.8965 ± 0.0023 | 0.9429 ± 0.0025 | 0.9531 ± 0.0035 | 0.9056 ± 0.0019 | 0.7412 ± 0.0031 | 0.9152 ± 0.0022 | 0.9954 ± 0.0014 |
| AP | 0.9514 ± 0.0065 | 0.8023 ± 0.0054 | 0.8566 ± 0.0066 | 0.9444 ± 0.0045 | 0.9471 ± 0.0044 | 0.9213 ± 0.0074 | 0.9411 ± 0.0030 | 0.9217 ± 0.0085 | 0.7213 ± 0.0041 | 0.8921 ± 0.0014 | 0.9937 ± 0.0022 | |
| F1 | 0.9052 ± 0.0053 | 0.7745 ± 0.0056 | 0.8214 ± 0.0061 | 0.8639 ± 0.0036 | 0.9352 ± 0.0065 | 0.8712 ± 0.0034 | 0.8355 ± 0.0019 | 0.8951 ± 0.0064 | 0.6060 ± 0.0015 | 0.8828 ± 0.0008 | 0.9821 ± 0.0023 | |
| ACC | 0.8873 ± 0.0074 | 0.6444 ± 0.0056 | 0.7023 ± 0.0059 | 0.8021 ± 0.0058 | 0.9042 ± 0.0086 | 0.8632 ± 0.0062 | 0.8413 ± 0.0023 | 0.8552 ± 0.0012 | 0.6634 ± 0.0017 | 0.8694 ± 0.0043 | 0.9812 ± 0.0024 |
| Dataset . | Metric . | MR-GNN . | GCN-BMP . | EPGCN-DS . | DeepDrug . | MIRACLE . | SSI-DDI . | CSGNN . | DeepDDS . | DSN-DDI . | HTCL-DDI . | MSDAFL . |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ZhangDDI | AUROC | 0.9434 ± 0.0015 | 0.8512 ± 0.0159 | 0.9043 ± 0.0018 | 0.9477 ± 0.0009 | 0.8914 ± 0.0021 | 0.9279 ± 0.0025 | 0.9871 ± 0.0012 | 0.9212 ± 0.0034 | 0.7113 ± 0.0035 | 0.9882 ± 0.0031 | 0.9912 ± 0.0012 |
| AP | 0.9133 ± 0.0052 | 0.8220 ± 0.0201 | 0.8996 ± 0.0065 | 0.9351 ± 0.0042 | 0.9312 ± 0.0043 | 0.8913 ± 0.0074 | 0.9712 ± 0.0087 | 0.9031 ± 0.0012 | 0.6756 ± 0.0045 | 0.9514 ± 0.0048 | 0.9907 ± 0.0033 | |
| F1 | 0.8463 ± 0.0074 | 0.7086 ± 0.0154 | 0.7958 ± 0.0046 | 0.8473 ± 0.0012 | 0.9282 ± 0.0017 | 0.8412 ± 0.0034 | 0.8731 ± 0.0034 | 0.8412 ± 0.0075 | 0.6712 ± 0.0031 | 0.9219 ± 0.0056 | 0.9405 ± 0.0014 | |
| ACC | 0.8884 ± 0.0099 | 0.7675 ± 0.0098 | 0.8212 ± 0.0064 | 0.8753 ± 0.0055 | 0.9391 ± 0.0014 | 0.8132 ± 0.0062 | 0.8992 ± 0.0014 | 0.8812 ± 0.0034 | 0.6513 ± 0.0034 | 0.9568 ± 0.0031 | 0.9553 ± 0.0012 | |
| ChCh-Mainer | AUROC | 0.9451 ± 0.0009 | 0.7762 ± 0.0081 | 0.9015 ± 0.0064 | 0.9902 ± 0.0020 | 0.9540 ± 0.0012 | 0.9809 ± 0.0014 | 0.9912 ± 0.0035 | 0.9717 ± 0.0073 | 0.9218 ± 0.0032 | 0.9836 ± 0.0021 | 0.9964 ± 0.0021 |
| AP | 0.9605 ± 0.0069 | 0.8351 ± 0.0071 | 0.9590 ± 0.0013 | 0.9874 ± 0.0015 | 0.9810 ± 0.0023 | 0.9897 ± 0.0006 | 0.9831 ± 0.0034 | 0.9881 ± 0.0012 | 0.9112 ± 0.0032 | 0.9931 ± 0.0012 | 0.9988 ± 0.0009 | |
| F1 | 0.9023 ± 0.0122 | 0.7187 ± 0.0054 | 0.8741 ± 0.0046 | 0.9323 ± 0.0051 | 0.9712 ± 0.0062 | 0.9398 ± 0.0034 | 0.9271 ± 0.0022 | 0.9331 ± 0.0051 | 0.8432 ± 0.0014 | 0.9701 ± 0.0021 | 0.9911 ± 0.0021 | |
| ACC | 0.8653 ± 0.0058 | 0.7543 ± 0.0019 | 0.8061 ± 0.0074 | 0.9216 ± 0.0071 | 0.9534 ± 0.0032 | 0.9219 ± 0.0048 | 0.8912 ± 0.0064 | 0.9151 ± 0.0043 | 0.8465 ± 0.0012 | 0.9513 ± 0.0013 | 0.9850 ± 0.0022 | |
| DeepDDI | AUROC | 0.9402 ± 0.0041 | 0.7412 ± 0.0085 | 0.8393 ± 0.0054 | 0.9062 ± 0.0043 | 0.8965 ± 0.0023 | 0.9429 ± 0.0025 | 0.9531 ± 0.0035 | 0.9056 ± 0.0019 | 0.7412 ± 0.0031 | 0.9152 ± 0.0022 | 0.9954 ± 0.0014 |
| AP | 0.9514 ± 0.0065 | 0.8023 ± 0.0054 | 0.8566 ± 0.0066 | 0.9444 ± 0.0045 | 0.9471 ± 0.0044 | 0.9213 ± 0.0074 | 0.9411 ± 0.0030 | 0.9217 ± 0.0085 | 0.7213 ± 0.0041 | 0.8921 ± 0.0014 | 0.9937 ± 0.0022 | |
| F1 | 0.9052 ± 0.0053 | 0.7745 ± 0.0056 | 0.8214 ± 0.0061 | 0.8639 ± 0.0036 | 0.9352 ± 0.0065 | 0.8712 ± 0.0034 | 0.8355 ± 0.0019 | 0.8951 ± 0.0064 | 0.6060 ± 0.0015 | 0.8828 ± 0.0008 | 0.9821 ± 0.0023 | |
| ACC | 0.8873 ± 0.0074 | 0.6444 ± 0.0056 | 0.7023 ± 0.0059 | 0.8021 ± 0.0058 | 0.9042 ± 0.0086 | 0.8632 ± 0.0062 | 0.8413 ± 0.0023 | 0.8552 ± 0.0012 | 0.6634 ± 0.0017 | 0.8694 ± 0.0043 | 0.9812 ± 0.0024 |
The superior results are emphasized in bold, while the second-best results are underlined.
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