Anti-cancer drug design has been acknowledged as a complicated, expensive, time-
consuming, and challenging task. How to reduce the research costs and speed up the …

Combining existing drug therapy is essential in developing new therapeutic agents in
disease prevention and treatment. In preclinical investigations, combined effect of certain …

The efficacy and safety of drugs are widely known to be determined by their interactions with
multiple molecules of pharmacological importance, and it is therefore essential to …

Drug-drug interaction (DDI) can trigger many adverse effects in patients and has emerged
as a threat to medicine and public health. Despite the continuous information accumulation …

There is mounting evidence that cancer patients co-administer herbal drugs with
chemotherapy, however, information on the pharmacodynamic (PD) effects of such …

Natural products, also referred to as dietary supplements, complementary and alternative
medicines, and health or food supplements are widely used by people living with cancer …

The treatment of complex diseases by using multiple drugs has become popular. However,
drug-drug interactions (DDI) may give rise to the risk of unanticipated adverse effects and …

There is a growing awareness that the large number of environmental pollutants we are
exposed to on a daily basis are causing major health problems. Compared to traditional …

Over decades, the prevailing standard in drug discovery was the concept of designing highly
selective compounds that act on individual drug targets. However, more recently, multi-target …

Graph neural networks (GNNs), which are capable of learning representations from
graphical data, are naturally suitable for modeling molecular systems. This review …