Accelerating Discoveries in Chemistry with AI

When it comes to boldly going where no man has gone before, we often think of frontier expeditions traversing the depths of outer space. But there’s also much to be explored on Earth—specifically in the compounds that play crucial, if often unnoticed, roles in our daily lives.

From paint pigments to promising drug candidates, there appears to be a compound for just about every need, but scientists say that the number of compounds known today is far eclipsed by theoretical calculations. Given the seemingly infinite combinations of elements, the chemical space—or the set of all possible organic compounds—has been estimated to contain 10180 compounds, more than twice the number of atoms in the universe.

From a research intern at A*STAR's Institute of High Performance Computing (IHPC) to a A*STAR National Science Scholar, Jacqueline Tan shares about how she harnesses machine learning to accelerate discoveries in chemical research. 

Read the full article published on A*STAR Research.