fig4

AI agents for MOFs and COFs discovery

Figure 4. Agent-based literature extraction workflow. The AI agent uses tools such as online dataset search and document retrieval to identify MOFs in a research article and infer related properties, such as water stability. Its predictions are supported by in-context textual evidence from the paper and checked through a chain-of-verification step to reduce hallucinations. The resulting structured dataset can then support downstream supervised or unsupervised machine-learning analyses. Reprinted from reference[17], under the CC BY 4.0 Unported license. MOFs: Metal-organic frameworks; AI: artificial intelligence; COD: Crystallography Open Database; QMOF: quantum MOF; XML: Extensible Markup Language; HCl: hydrochloric acid.