Using Artificial Intelligence to Predict Chemical Reactions

Chemical Reactions

The increasing complexity and diverse portfolio of chemical reactions has necessitated the presence of a system that allows for swift analysis and prediction reaction results. Hence, a a postdoctoral scholar and chemistry and  a chemical engineering graduate student have together elucidated the use of artificial intelligence in predicting the action of reagents after hitting the test tubes. Although several similar systems have been developed to test the viability or action of reagents in the past, this one come with several perks and greater accuracy due to the use of artificial intelligence (AI). The results are expected to substantially enhance the ability of chemists in analyzing the performance of catalysts and the superior of one catalyst over others. Furthermore, identification of new drugs lines is also expected to be accomplished with greater scrutiny through the use of AI.

Efficiency and Effortlessness

The professor-student duo behind this research stated that a huge multi-computational system is currently dedicated towards the analysis, prediction, and scrutiny of chemical reactions. Hence, tonnes of energy is used up just for prognosticating the action of two or more reagents. The researchers suggest the use of artificial intelligence as a recourse from this conventional system of deploying thousands of computational forces for reaction prediction.

Future Research

The results of using AI for prediction of chemical reactions have been commendable and are expected to open new avenues within the domain of chemical experimentation. However, this system has only been testing for simple reactions and primitive reagents. Due to this reason, the long-term employability of this system for complex reactions till remains a matter of question.

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