Abstract. Organic synthesis in the last century was a scientific and experimental branch involved in the practical synthesis of organic chemicals from simple chemical reagents to highly compicated molecular structures for the chemical industry and for research purposes. The synthesis of organic molecules has developed into one of the most important branches of organic chemistry and a cornestone sector of the economy worldwide.Organic chemicals are used for plastics, rubber materials, pharmaceuticals, cosmetics, detergents, coatings, dyestuff, agrichemical chemicals and a variety of materials for the heavy industry and commercial businesses. Also, synthetic organic chemicals are important for biochemistry, biotechnology, medicinal products and health treatments. With the emergence of artificial intelligence‐driven technology, the challenge of generalized predictions of organic reaction outcomes and streamlined reaction optimization has gained significant importance. Artificial Intelligence (AI) is considered one of the most important disruptive innovations with the potential to revolutionize research in synthetic organic chemistry. Also computer programmes supported by AI and specialized deep learning techniques can help organic chemists to predict mechanisms, reactivity, yields and final products of given reagents, aiming to accelerate the outcome of organic synthetic reactions. The advent of AI and algorithms to automatize, improve, and generalize organic reaction prediction is gaining importance in parallel with conventional synthetic methodologies. There are now several published studies in this area that reviewed and explored the results of experimental research with connection to advanced methods of AI. In the last decade scientists employed AI techniques and deep reinforcement learning to optimize organic chemical reactions, giving researchers the opportunity to use model iteratively records leading to new experimental conditions to improve organic reaction outcomes. This review collected some interesting studies from the scientific literature of the last decade on the subject of AI and organic reaction synthesis.
Synthetic Organic Chemistry and the Emergence of Artificial Intelligence-Driven Technology to Synthesize Target Chemical Compounds
May 5, 2020