1、 AI MODELS FOR CHEMISTRY:CHARTING THE LANDSCAPE IN MATERIALS AND LIFE SCIENCES CAS INSIGHTS REPORT HOW AI MODELS ARE TRANSFORMING SCIENCE In the landscape of modern scientific research,artificial intelligence(AI)has emerged as a transformative force,fundamentally altering how researchers conceptuali

2、ze,conduct,and validate their work.The convergence of computational power,advanced algorithms,and vast datasets has driven AI from theoretical possibility to practical necessity across scientific disciplines.This report of over 310,000 journal articles and patents can inform our views about the rise

3、 of AI for science and the current state and trajectory of AI integration in scientific research for researchers,institutions,and policymakers.Table of Contents Executive summary.3 The landscape of AI models in science.4 Classification,regression,and clustering models.5 Artificial neural networks(AN

4、Ns).5 Hybridized methods.5 Domain-specific models.6 Natural language processing(NLP).6 Large language models(LLMs).6 Publication trends show AIs impact on science.7 Applications of AI models in biomedical research.9 Overview.9 Co-occurrences of AI models and biomedical concepts.12 Substances in biom

5、edical research.15 Applications of AI models in materials science.16 Overview.16 Co-occurrences of AI models and materials science concepts.18 Substances in materials science.22 AI in process management.24 Challenges to the use of AI in scientific research.25 AI models and the future of scientific r

6、esearch.26 3 Executive summary In the landscape of modern scientific research,artificial intelligence(AI)has emerged as a transformative force,fundamentally altering how researchers conceptualize,conduct,and validate their work.The convergence of computational power,advanced algorithms,and vast data