TY - JOUR
T1 - Machine learning advancements in organic synthesis
T2 - A focused exploration of artificial intelligence applications in chemistry
AU - Aal E Ali, Rizvi Syed
AU - Meng, Jiaolong
AU - Khan, Muhammad Ehtisham Ibraheem
AU - Jiang, Xuefeng
N1 - Publisher Copyright:
© 2024 The Authors.
PY - 2024/6
Y1 - 2024/6
N2 - Artificial intelligence (AI) is driving a revolution in chemistry, reshaping the landscape of molecular design. This review explores AI’s pivotal roles in the field of organic synthesis applications. AI accurately predicts reaction outcomes, controls chemical selectivity, simplifies synthesis planning, accelerates catalyst discovery, and fuels material innovation and so on. It seamlessly integrates data-driven algorithms with chemical intuition to redefine molecular design. As AI chemistry advances, it promises accelerated research, sustainability, and innovative solutions to chemistry’s pressing challenges. The fusion of AI and chemistry is poised to shape the field’s future profoundly, offering new horizons in precision and efficiency. This review encapsulates the transformation of AI in chemistry, marking a pivotal moment where algorithms and data converge to revolutionize the world of molecules.
AB - Artificial intelligence (AI) is driving a revolution in chemistry, reshaping the landscape of molecular design. This review explores AI’s pivotal roles in the field of organic synthesis applications. AI accurately predicts reaction outcomes, controls chemical selectivity, simplifies synthesis planning, accelerates catalyst discovery, and fuels material innovation and so on. It seamlessly integrates data-driven algorithms with chemical intuition to redefine molecular design. As AI chemistry advances, it promises accelerated research, sustainability, and innovative solutions to chemistry’s pressing challenges. The fusion of AI and chemistry is poised to shape the field’s future profoundly, offering new horizons in precision and efficiency. This review encapsulates the transformation of AI in chemistry, marking a pivotal moment where algorithms and data converge to revolutionize the world of molecules.
KW - Artificial intelligence
KW - Catalyst design
KW - Chemical selectivity
KW - Material design
KW - Retrosynthesis prediction
UR - https://www.scopus.com/pages/publications/105042626692
U2 - 10.1016/j.aichem.2024.100049
DO - 10.1016/j.aichem.2024.100049
M3 - 文章
AN - SCOPUS:105042626692
SN - 2949-7477
VL - 2
JO - Artificial Intelligence Chemistry
JF - Artificial Intelligence Chemistry
IS - 1
M1 - 100049
ER -