Artificial Intelligence Driven Chemistry: A Review

Artificial intelligence (AI) is increasingly changing the research paradigms of science and technology. Several examples show the enormous potential of AI to revolutionize the research in the scientific field. The application of artificial intelligence (AI) to chemistry has grown tremendously in recent years. The application of AI in chemistry is also related to drug development, molecules-chemical bond, building blocks. AI can help with everything from molecule synthesis to molecular property identification. AI also automatedly designed an industrial-scale central processing unit (CPU) within 5 h. Chemistry, as a basic science that studies the composition, structure, properties of substances and the transformations they undergo, has long suffered with huge parameter space, large span of dimensions and low experimental efficiency due to traditional trial and error methods. In recent years, with the deep intersection of AI and chemistry, these problems are gradually being solved. High-precision, high-efficiency, multi-scale chemical prediction models have been developed. Large model-driven, human-machine collaborative intelligent chemical laboratories have been constructed. Google Maps is among the most useful examples of AI. The AI has developed into a helpful tool in many sectors ranged from developing games and speech recognition to autonomous vehicle operation and spaceships since the early 2000s.

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Journal
JOURNAL OF ADVANCE AND FUTURE RESEARCH
Published
2026-04-01
DOI
https://doi.org/10.56975/jaafr.v4i4.506309
Primary Topic
Machine Learning in Materials Science
Type
article
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article

Artificial Intelligence Driven Chemistry: A Review

Bhawana Kesarwani
JOURNAL OF ADVANCE AND FUTURE RESEARCH
Machine Learning in Materials Science
article

Artificial Intelligence Driven Chemistry: A Review

Bhawana Kesarwani
article en

Abstract

Artificial intelligence (AI) is increasingly changing the research paradigms of science and technology. Several examples show the enormous potential of AI to revolutionize the research in the scientific field. The application of artificial intelligence (AI) to chemistry has grown tremendously in recent years. The application of AI in chemistry is also related to drug development, molecules-chemical bond, building blocks. AI can help with everything from molecule synthesis to molecular property identification. AI also automatedly designed an industrial-scale central processing unit (CPU) within 5 h. Chemistry, as a basic science that studies the composition, structure, properties of substances and the transformations they undergo, has long suffered with huge parameter space, large span of dimensions and low experimental efficiency due to traditional trial and error methods. In recent years, with the deep intersection of AI and chemistry, these problems are gradually being solved. High-precision, high-efficiency, multi-scale chemical prediction models have been developed. Large model-driven, human-machine collaborative intelligent chemical laboratories have been constructed. Google Maps is among the most useful examples of AI. The AI has developed into a helpful tool in many sectors ranged from developing games and speech recognition to autonomous vehicle operation and spaceships since the early 2000s.

JOURNAL OF ADVANCE AND FUTURE RESEARCHVol. 4(4)
Federal Government of Mexico (MX)
Openalex Percentile: Top 11%
Machine Learning in Materials Science
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