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ISSN 2063-5346
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Unleashing the Power of Machine Learning in Chemical Synthesis

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Proshanta Sarkar
» doi: 10.31838/ecb/2023.12.s3.278

Abstract

Machine learning has emerged as a powerful tool in chemical synthesis, enabling prediction, optimization, and discovery of novel reactions and compounds. This paper provides an overview of the applications of machine learning in chemical synthesis, including reaction prediction, optimization, retrosynthetic analysis, catalyst design, materials discovery, drug discovery, property prediction, and process monitoring. It highlights the potential of machine learning to unlock new insights, accelerate research, and improve efficiency in the field. However, challenges and limitations, such as data availability, interpretability, and ethical considerations, must be addressed to ensure responsible and effective use of machine learning. Ethical considerations and safety measures, including data privacy, fairness, and adherence to regulations, are crucial to prevent biases and ensure the safe and ethical integration of machine learning in chemical synthesis. By addressing these challenges and fostering collaboration between chemists, data scientists, and regulatory bodies, machine learning can transform the landscape of chemical synthesis, leading to more efficient and sustainable processes and the discovery of novel compounds and materials.

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