图4显示了GraphCL-DTA模型在三个评估指标下的相对改进百分比(与GCN-DTA和GCL-DTA模型相比)。首先,通过将GraphCLDTA模型与GCN-DTA模型进行比较,我们发现GraphCL-DTA模型的性能在图对比学习框架的支持下得到了提升。与GCN-DTA模型相比,GraphCL-DTA模型在Davis数据集上的三个指标分别相对提高了3.0%、0.5%和3.1%。KIBA...
In this study, we propose GraphCL-DTA, a graph contrastive learning with molecular semantics for drug-target binding affinity prediction. This graph contrastive learning framework replaces the dropout-based data augmentation strategy by performing data augmentation in the embedding space, thereby better ...