Results on test set of Davis dataset based on MRBDTA and existing baseline methods
| Method . | CI (SD) . | MSE (SD) . | rm2 (SD) . |
|---|---|---|---|
| KronRLS | 0.871 (0.0008) | 0.379 | 0.407 (0.005) |
| SimBoost | 0.872 (0.002) | 0.282 | 0.644 (0.006) |
| DeepDTA | 0.878 (0.004) | 0.261 | 0.630 (0.017) |
| MT-DTI | 0.887 (0.003) | 0.245 | 0.665 (0.014) |
| WideDTA | 0.886 (0.003) | 0.262 | – |
| DeepCPI | 0.867 (−) | 0.293 | 0.607 (−) |
| DeepCDA | 0.891 (0.003) | 0.248 | 0.649 (0.009) |
| GraphDTA | 0.881 (−) | 0.245 | – |
| DeepGS | 0.882 (−) | 0.252 | 0.686 (−) |
| MATT_DTI | 0.891 (0.002) | 0.227 | 0.683 (0.017) |
| DeepFusionDTA | 0.887 (−) | 0.253 | – |
| MRBDTA | 0.901 (0.004) | 0.216 (0.006) | 0.716 (0.008) |
| Method . | CI (SD) . | MSE (SD) . | rm2 (SD) . |
|---|---|---|---|
| KronRLS | 0.871 (0.0008) | 0.379 | 0.407 (0.005) |
| SimBoost | 0.872 (0.002) | 0.282 | 0.644 (0.006) |
| DeepDTA | 0.878 (0.004) | 0.261 | 0.630 (0.017) |
| MT-DTI | 0.887 (0.003) | 0.245 | 0.665 (0.014) |
| WideDTA | 0.886 (0.003) | 0.262 | – |
| DeepCPI | 0.867 (−) | 0.293 | 0.607 (−) |
| DeepCDA | 0.891 (0.003) | 0.248 | 0.649 (0.009) |
| GraphDTA | 0.881 (−) | 0.245 | – |
| DeepGS | 0.882 (−) | 0.252 | 0.686 (−) |
| MATT_DTI | 0.891 (0.002) | 0.227 | 0.683 (0.017) |
| DeepFusionDTA | 0.887 (−) | 0.253 | – |
| MRBDTA | 0.901 (0.004) | 0.216 (0.006) | 0.716 (0.008) |
The bold values means the best results among MRBDTA and 11 previous state-of-the-art computational models
Results on test set of Davis dataset based on MRBDTA and existing baseline methods
| Method . | CI (SD) . | MSE (SD) . | rm2 (SD) . |
|---|---|---|---|
| KronRLS | 0.871 (0.0008) | 0.379 | 0.407 (0.005) |
| SimBoost | 0.872 (0.002) | 0.282 | 0.644 (0.006) |
| DeepDTA | 0.878 (0.004) | 0.261 | 0.630 (0.017) |
| MT-DTI | 0.887 (0.003) | 0.245 | 0.665 (0.014) |
| WideDTA | 0.886 (0.003) | 0.262 | – |
| DeepCPI | 0.867 (−) | 0.293 | 0.607 (−) |
| DeepCDA | 0.891 (0.003) | 0.248 | 0.649 (0.009) |
| GraphDTA | 0.881 (−) | 0.245 | – |
| DeepGS | 0.882 (−) | 0.252 | 0.686 (−) |
| MATT_DTI | 0.891 (0.002) | 0.227 | 0.683 (0.017) |
| DeepFusionDTA | 0.887 (−) | 0.253 | – |
| MRBDTA | 0.901 (0.004) | 0.216 (0.006) | 0.716 (0.008) |
| Method . | CI (SD) . | MSE (SD) . | rm2 (SD) . |
|---|---|---|---|
| KronRLS | 0.871 (0.0008) | 0.379 | 0.407 (0.005) |
| SimBoost | 0.872 (0.002) | 0.282 | 0.644 (0.006) |
| DeepDTA | 0.878 (0.004) | 0.261 | 0.630 (0.017) |
| MT-DTI | 0.887 (0.003) | 0.245 | 0.665 (0.014) |
| WideDTA | 0.886 (0.003) | 0.262 | – |
| DeepCPI | 0.867 (−) | 0.293 | 0.607 (−) |
| DeepCDA | 0.891 (0.003) | 0.248 | 0.649 (0.009) |
| GraphDTA | 0.881 (−) | 0.245 | – |
| DeepGS | 0.882 (−) | 0.252 | 0.686 (−) |
| MATT_DTI | 0.891 (0.002) | 0.227 | 0.683 (0.017) |
| DeepFusionDTA | 0.887 (−) | 0.253 | – |
| MRBDTA | 0.901 (0.004) | 0.216 (0.006) | 0.716 (0.008) |
The bold values means the best results among MRBDTA and 11 previous state-of-the-art computational models
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