fig3

Agentic material science

Figure 3. Research strategies for hypothesis generation by agents. (A) dZiner workflow overview[40]; (B) The MOOSE-Chem framework[47]. Figure 3A is reproduced from “dZiner: Rational Inverse Design of Materials with AI Agents”, arXiv:2410.03963, under CC BY-SA 4.0 license[40]. Figure 3B is reproduced from “MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses”, arXiv:2410.07076, under CC BY 4.0 license[47]. SMILES: Simplified Molecular Input Line Entry System; ACS: American Chemical Society; AI: artificial intelligence.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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