Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …

Neurological disorders significantly outnumber diseases in other therapeutic areas.
However, develo** drugs for central nervous system (CNS) disorders remains the most …

Drug–target interactions (DTIs) play a crucial role in target-based drug discovery and
development. Computational prediction of DTIs can effectively complement experimental …

Understanding how neuronal activity patterns in the brain correlate with complex behavior is
one of the primary goals of modern neuroscience. Chemical transmission is the major way of …

Background Prediction of drug–target interaction (DTI) is an essential step for drug discovery
and drug reposition. Traditional methods are mostly time-consuming and labor-intensive …

In silico prediction of drug–target interactions is a critical phase in the sustainable drug
development process, especially when the research focus is to capitalize on the …

Proteins interact with small molecules to modulate several important cellular functions. Many
acute diseases were cured by small molecule binding in the active site of protein either by …

Identifying drug-target interactions (DTIs) is an important step for drug discovery and drug
repositioning. To reduce the experimental cost, a large number of computational …

Globally with over 10 million deaths per year, cancer is the most transversal disease across
countries, cultures, and ethnicities, affecting both developed and develo** regions …

Like physics in the 19th century, biology and molecular biology in particular, has been
fertilized and enhanced like few other scientific fields, by the incorporation of mathematical …