Machine learning methods hold the promise to reduce the costs and the failure rates of conventional drug discovery pipelines. This issue is especially pressing for neurodegenerative diseases, where ...

Drug discovery focuses on identifying potential therapeutic compounds that can treat different disease conditions. It is a complex process with multiple steps that requires synergy among various ...

Researchers have developed a framework that uses machine learning to accelerate the search for new proton-conducting materials, that could potentially improve the efficiency of hydrogen fuel cells.

A method to interpret artificial intelligence (AI) models used in materials discovery by analyzing their learned features has ...

Figure 1. This figure depicts the four categories of protein druggability target screening tools discussed in this section, which include structure-based methods, sequence-based methods, machine ...