Artificial Intelligence in Chemistry: Current Trends and Future Directions.

Area of Science:

• Chemistry, Biochemistry, Analytical Chemistry, Life Sciences

Background:

• The integration of artificial intelligence (AI) into chemistry has experienced substantial growth.
• Understanding the trends and distribution of AI in chemistry publications is crucial for identifying future research directions.

Purpose of the Study:

• To analyze the growth and distribution of AI-related chemistry publications over the past two decades.
• To identify key research areas, interdisciplinary trends, and emerging topics in AI-driven chemistry.
• To evaluate the role of different substance classes in AI-related chemistry research.

Main Methods:

• Utilized the CAS Content Collection to track journal and patent publications.
• Analyzed publication distribution across various chemistry research areas.
• Conducted topic analyses and evaluated notable publications to identify use cases and substance roles.

Main Results:

• A dramatic increase in AI-related chemistry publications, particularly since 2015.
• Analytical chemistry and biochemistry demonstrate the highest AI integration and growth rates.
• Identified key interdisciplinary research combinations and emerging AI-chemistry topic associations.

Conclusions:

• AI adoption is rapidly progressing across diverse chemistry fields, especially in life sciences and analytical chemistry.
• The review provides a comprehensive overview of AI's current impact and future trajectory in chemistry.
• Emerging use cases and substance roles highlight the expanding influence of AI in chemical research.