AI-assisted chemistry research: a comprehensive analysis of evolutionary paths and hotspots through knowledge graphs
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Published on: October 13, 2023
Lin Yang1, Qingle Guo1, Lijing Zhang2
1School of Intellectual Property, Dalian University of Technology, Dalian 116024, Liaoning, P. R. China.
Abstract:
Artificial intelligence (AI) offers transformative potential for chemical research through its ability to optimize reactions and processes, enhance energy efficiency, and reduce waste. AI-assisted chemical research (AI + chem) has become a global hotspot. To better understand the current research status of "AI + chem", this study conducted a scientific bibliometric investigation using CiteSpace. The web of science core collection was utilized to retrieve original articles related to "AI + chem" published from 2000 to 2024. The obtained data allowed for the visualization of the knowledge background, current research status, and latest knowledge structure of "AI + chem". The "AI + chem" has entered a stage of explosive growth, and the number of papers will maintain long-term high-speed growth. This article systematically analyzes the latest progress in "AI + chem" and objectively predicts future trends, including molecular design, reaction prediction, materials design, drug design, and quantum chemistry. The outcomes of this study will provide readers with a comprehensive understanding of the overall landscape of "AI + chem".
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