Evidence map›Paper›PMID 42775028›Full record

ArticleRSC advances2026

ChemGraph-XANES: an agentic framework for XANES simulation and curation.

Vitor F Grizzi, Thang Duc Pham, Luke N Pretzie, Jiayi Xu, Murat Keceli, Cong Liu

Abstract read
In one paragraph

Article in RSC advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Vitor F GrizziChemical Sciences and Engineering Division, Argonne National Laboratory Lemont IL 60439 USA congliu@anl.gov.
Thang Duc PhamComputational Science Division, Argonne National Laboratory Lemont IL 60439 USA.
Luke N PretzieChemical Sciences and Engineering Division, Argonne National Laboratory Lemont IL 60439 USA congliu@anl.gov.
Jiayi XuChemical Sciences and Engineering Division, Argonne National Laboratory Lemont IL 60439 USA congliu@anl.gov.
Murat KeceliComputational Science Division, Argonne National Laboratory Lemont IL 60439 USA.
Cong LiuChemical Sciences and Engineering Division, Argonne National Laboratory Lemont IL 60439 USA congliu@anl.gov.ORCID https://orcid.org/0000-0002-2145-5034

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Computational X-ray absorption near-edge structure (XANES) is widely used to interpret local coordination environments, oxidation states, and electronic structure, but large computational campaigns are often limited by workflow complexity. We present ChemGraph-XANES, a large language model (LLM)-based agentic framework that combines documentation-grounded parameter retrieval

Identifiers

PMID42775028
PMCPMC13595110

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.