Tag: drug-target interaction

A new multiscale heterogeneous graph transformer called HierHGT-DTI achieves large gains in cold-start drug-target interaction prediction, especially for protein targets ...

Researchers have developed TCM-Complexity, an active learning framework that uses the local structural complexity of drug–target embedding spaces to select ...

A controlled ablation study shows that classifier design and optimisation, not cross-attention alone, account for most of the improvement a ...

A new review maps how artificial intelligence is transforming oncology drug discovery, clinical decision-making, and regulatory science from molecule design ...