The ROC-AUC score of APN that uses deep attributes on 10-shot tasks from Tox21, SIDER, and MUV datasets.
| Attributes . | Tox21 . | SIDER . | MUV . | Average . | |||
|---|---|---|---|---|---|---|---|
| . | 5-shot . | 10-shot . | 5-shot . | 10-shot . | 5-shot . | 10-shot . | . |
| CGIP_G | 78.81 (0.46) | 81.77 (0.07) | 72.77 (0.53) | 78.69 (0.30) | 67.18 (1.17) | 67.33 (0.22) | 74.43 |
| GraphMVP | 78.19 (0.37) | 81.52 (0.17) | 73.00 (0.83) | 76.86 (0.35) | 66.26 (0.43) | 66.66 (0.23) | 73.75 |
| IEM_3d_10conf | 79.79 (0.30) | 82.70 (0.55) | 71.50 (0.80) | 77.53 (0.41) | 66.68 (1.61) | 69.23 (1.32) | 74.57 |
| MoleBERT | 80.40 (0.23) | 84.54 (0.36) | 73.20 (0.28) | 78.58 (0.23) | 66.48 (0.24) | 67.35 (0.16) | 75.09 |
| molformer | 79.60 (0.36) | 82.26 (0.13) | 73.19 (1.04) | 79.05 (0.23) | 66.35 (0.40) | 67.30 (0.42) | 74.63 |
| unimol_10conf | 80.66 (0.91) | 84.21 (0.62) | 73.57 (0.72) | 77.08 (1.45) | 66.57 (0.22) | 67.13 (0.46) | 74.87 |
| VideoMol_1conf | 79.52 (0.34) | 83.66 (0.65) | 73.34 (0.78) | 78.81 (0.29) | 67.39 (0.58) | 68.17 (0.18) | 75.15 |
| Attributes . | Tox21 . | SIDER . | MUV . | Average . | |||
|---|---|---|---|---|---|---|---|
| . | 5-shot . | 10-shot . | 5-shot . | 10-shot . | 5-shot . | 10-shot . | . |
| CGIP_G | 78.81 (0.46) | 81.77 (0.07) | 72.77 (0.53) | 78.69 (0.30) | 67.18 (1.17) | 67.33 (0.22) | 74.43 |
| GraphMVP | 78.19 (0.37) | 81.52 (0.17) | 73.00 (0.83) | 76.86 (0.35) | 66.26 (0.43) | 66.66 (0.23) | 73.75 |
| IEM_3d_10conf | 79.79 (0.30) | 82.70 (0.55) | 71.50 (0.80) | 77.53 (0.41) | 66.68 (1.61) | 69.23 (1.32) | 74.57 |
| MoleBERT | 80.40 (0.23) | 84.54 (0.36) | 73.20 (0.28) | 78.58 (0.23) | 66.48 (0.24) | 67.35 (0.16) | 75.09 |
| molformer | 79.60 (0.36) | 82.26 (0.13) | 73.19 (1.04) | 79.05 (0.23) | 66.35 (0.40) | 67.30 (0.42) | 74.63 |
| unimol_10conf | 80.66 (0.91) | 84.21 (0.62) | 73.57 (0.72) | 77.08 (1.45) | 66.57 (0.22) | 67.13 (0.46) | 74.87 |
| VideoMol_1conf | 79.52 (0.34) | 83.66 (0.65) | 73.34 (0.78) | 78.81 (0.29) | 67.39 (0.58) | 68.17 (0.18) | 75.15 |
The ROC-AUC score of APN that uses deep attributes on 10-shot tasks from Tox21, SIDER, and MUV datasets.
| Attributes . | Tox21 . | SIDER . | MUV . | Average . | |||
|---|---|---|---|---|---|---|---|
| . | 5-shot . | 10-shot . | 5-shot . | 10-shot . | 5-shot . | 10-shot . | . |
| CGIP_G | 78.81 (0.46) | 81.77 (0.07) | 72.77 (0.53) | 78.69 (0.30) | 67.18 (1.17) | 67.33 (0.22) | 74.43 |
| GraphMVP | 78.19 (0.37) | 81.52 (0.17) | 73.00 (0.83) | 76.86 (0.35) | 66.26 (0.43) | 66.66 (0.23) | 73.75 |
| IEM_3d_10conf | 79.79 (0.30) | 82.70 (0.55) | 71.50 (0.80) | 77.53 (0.41) | 66.68 (1.61) | 69.23 (1.32) | 74.57 |
| MoleBERT | 80.40 (0.23) | 84.54 (0.36) | 73.20 (0.28) | 78.58 (0.23) | 66.48 (0.24) | 67.35 (0.16) | 75.09 |
| molformer | 79.60 (0.36) | 82.26 (0.13) | 73.19 (1.04) | 79.05 (0.23) | 66.35 (0.40) | 67.30 (0.42) | 74.63 |
| unimol_10conf | 80.66 (0.91) | 84.21 (0.62) | 73.57 (0.72) | 77.08 (1.45) | 66.57 (0.22) | 67.13 (0.46) | 74.87 |
| VideoMol_1conf | 79.52 (0.34) | 83.66 (0.65) | 73.34 (0.78) | 78.81 (0.29) | 67.39 (0.58) | 68.17 (0.18) | 75.15 |
| Attributes . | Tox21 . | SIDER . | MUV . | Average . | |||
|---|---|---|---|---|---|---|---|
| . | 5-shot . | 10-shot . | 5-shot . | 10-shot . | 5-shot . | 10-shot . | . |
| CGIP_G | 78.81 (0.46) | 81.77 (0.07) | 72.77 (0.53) | 78.69 (0.30) | 67.18 (1.17) | 67.33 (0.22) | 74.43 |
| GraphMVP | 78.19 (0.37) | 81.52 (0.17) | 73.00 (0.83) | 76.86 (0.35) | 66.26 (0.43) | 66.66 (0.23) | 73.75 |
| IEM_3d_10conf | 79.79 (0.30) | 82.70 (0.55) | 71.50 (0.80) | 77.53 (0.41) | 66.68 (1.61) | 69.23 (1.32) | 74.57 |
| MoleBERT | 80.40 (0.23) | 84.54 (0.36) | 73.20 (0.28) | 78.58 (0.23) | 66.48 (0.24) | 67.35 (0.16) | 75.09 |
| molformer | 79.60 (0.36) | 82.26 (0.13) | 73.19 (1.04) | 79.05 (0.23) | 66.35 (0.40) | 67.30 (0.42) | 74.63 |
| unimol_10conf | 80.66 (0.91) | 84.21 (0.62) | 73.57 (0.72) | 77.08 (1.45) | 66.57 (0.22) | 67.13 (0.46) | 74.87 |
| VideoMol_1conf | 79.52 (0.34) | 83.66 (0.65) | 73.34 (0.78) | 78.81 (0.29) | 67.39 (0.58) | 68.17 (0.18) | 75.15 |
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