Figure 1. Overall framework of MIGDTA. GCN: graph convolutional network; GIN: graph isomorphism network; CNN: convolutional neural network; MLP: multi-layer ...

Lead optimization in drug discovery is a challenging process that heavily relies on hypotheses and the experience of medicinal chemists. This often leads to uncertain outcomes and inefficiency.

Drugs bind to targeted receptors on the surface of cells or enzymes to regulate the rate of chemical reactions. These chemical reactions may be relied upon to treat different diseases and considerably ...

The prevalence of multi_drug therapies has been increasing in recent years, particularly among the elderly who are suffering from several diseases. However, unexpected Drug_Drug interaction (DDI) can ...

Antibodies play a vital role in the immune system by providing protection against foreign invaders, such as bacteria and viruses. Produced by B cells, antibodies are protein molecules that can be ...

Have you ever done a Google search to find a restaurant or look up what your favorite actor is up to? Most of us have, and therefore understand the benefit of knowledge graphs, possibly without even ...