Recent developments of automated flow chemistry in pharmaceutical compounds synthesis

Wu, Jiashu; Yang, Xingxing; Pan, Yourong; Zuo, Tao; Ning, Zuozhou; Li, Chengxi; Zhang, Zhiguo

doi:10.1007/s41981-023-00285-x

Cited by 3 publications

(1 citation statement)

References 89 publications

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“…Automated synthesis planning harnesses AI tools to revolutionize the way chemists design and synthesize chemical compounds. [124][125][126][127][128][129] Traditionally, planning synthetic routes has been a complex and time-consuming task, requiring chemists to draw upon their extensive knowledge of reaction mechanisms, reactivity, and functional group transformations. Automated synthesis planning systems aim to simplify the task by providing computer-generated pathways that predict the most efficient and practical routes for synthesizing desired molecules.…”

Section: Automated Synthesis Planningmentioning

confidence: 99%

Top 20 Influential AI-Based Technologies in Chemistry

Ananikov

2024

Preprint

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The beginning and ripening of digital chemistry is analyzed focusing on the role of artificial intelligence (AI) in an expected leap in chemical sciences to bring this area to the next evolutionary level. The analytic description selects and highlights the top 20 AI-based technologies and 7 broader themes that are reshaping the field. It underscores the integration of digital tools such as machine learning, big data, digital twins, the Internet of Things (IoT), robotic platforms, smart control of chemical processes, virtual reality and blockchain, among many others, in enhancing research methods, educational approaches, and industrial practices in chemistry. The significance of this study lies in its focused overview of how these digital innovations foster a more efficient, sustainable, and innovative future in chemical sciences. This article not only illustrates the transformative impact of these technologies but also draws new pathways in chemistry, offering a broad appeal to researchers, educators, and industry professionals to embrace these advancements for addressing contemporary challenges in the field.

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Section: Automated Synthesis Planningmentioning

confidence: 99%

Top 20 Influential AI-Based Technologies in Chemistry

Ananikov

2024

Preprint

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Recent Progress in Liquid Electrolytes for High‐Energy Lithium–Metal Batteries: From Molecular Engineering to Applications

Li,

Han,

Cui

et al. 2024

Adv Funct Materials

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Lithium–metal batteries (LMBs) have garnered significant interests for their promising high gravimetric energy density (Eg) ∼ 750 Wh kg−1. However, the practical application of the LMBs is plagued by the high reactivity and large volume change during charging–discharging of the lithium–metal anode (LMA), seriously deteriorating the battery safety and cycle life. Great efforts have been devoted to tailoring the electrolytes to favor the Li–metal electroplating by uniformizing the deposition morphology and by suppressing the side reactions between electrolytes and LMA. The aggressive chemistries of both the LMA and its high‐voltage counterpart give new electrolyte components more opportunities, especially designing via molecular engineering. Here, a comprehensive and in‐depth overview of the scientific challenges, fundamental mechanisms, and particularly historical strategies of designing new molecules for electrolyte components including solvents, salts, and additives. Their important roles in tuning the Li+ solvation structure, interface composition, decomposition pathways, and the resultant electrochemical performance of LMBs are also presented. Finally, novel insights and promising research directions from the practical application viewpoints are proposed for future electrolyte designs for high‐voltage LMBs.

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Top 20 influential AI-based technologies in chemistry

Ananikov

2024

Artificial Intelligence Chemistry

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Recent developments of automated flow chemistry in pharmaceutical compounds synthesis

Cited by 3 publications

References 89 publications

Top 20 Influential AI-Based Technologies in Chemistry

Top 20 Influential AI-Based Technologies in Chemistry

Recent Progress in Liquid Electrolytes for High‐Energy Lithium–Metal Batteries: From Molecular Engineering to Applications

Top 20 influential AI-based technologies in chemistry

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