The Use of Artificial Intelligence and Machine Learning in Chemical Simulations
November 25, 2024
AI and machine learning are revolutionizing chemical simulations, enabling faster and more accurate chemical properties prediction and analysis of chemical reactions. While traditional methods struggle with complex structure-activity relationships, machine learning models leverage data analysis to optimize chemical structure, predict reactivity, and enhance predictive modeling.
Techniques such as molecular fingerprints, Graph Neural Networks, and supervised learning improve accuracy, reducing reliance on trial-and-error approaches and accelerating computational efficiency.
How can AI reshape the future of chemical simulations? Read more to find out.
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