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HFEPX · Eval paper review

Building and Auditing Chemical Datasets with LLMs: A General LLM-as-a-Judge Framework Applied to Homogeneous Catalytic PET Depolymerisation

Muhammad bin Javaid, Karim K. Ben Hicham, Enkhnyam Battulga, Alexander Mitsos +1 more

Published

Nov 8, 2026

Citations

0

Trust level

Low

Usefulness score

49/100 (Medium)

Extraction confidence

45% (Low)

Derived from extracted protocol signals and abstract evidence.

Rater population

Not reported

Signals refreshed

Nov 8, 2026

Should you rely on this paper?

This paper has useful evaluation signal, but protocol completeness is partial; pair it with related papers before deciding implementation strategy.

Use this as background context only. Do not make protocol decisions from this page alone.

Best use

Secondary protocol comparison source

Use if you need

A secondary eval reference to pair with stronger protocol papers.

What to verify

Validate the evaluation procedure and quality controls in the full paper before operational use.

Main weakness

The available metadata is too thin to trust this as a primary source.

Human feedback signal
Not explicit
Not explicit in abstract metadata
Evaluation signal
Detected
Eval setup described
Usefulness for eval research
49/100
Moderate-confidence candidate

Useful as a secondary reference; validate protocol details against neighboring papers.

Abstract

Large language models can rapidly extract structured multivariate experimental data from the chemistry literature, yet verifying thousands of generated records without ground truth remains difficult. We present a general, citation-grounded extraction and verification methodology centered on an independent "LLM-as-a-judge", applied to the literature on homogeneous catalytic poly(ethylene terephthalate) (PET) depolymerisation. In this pipeline, an extractor LLM generates schema-enforced records from research papers with citations to document chunks tagged with universally unique identifiers (UUIDs); an independent LLM judge then reads the full paper alongside each record, flags unsupported fields, and proposes cited corrections. Prompt ablations show that requiring chunk-level citations not only provides provenance down to specific paragraphs and tables but also improves extraction accuracy. Before deploying the judge at scale, we benchmarked it against manual evaluation on extractions from a hand-curated reference set of 295 ionic-liquid-catalysed PET glycolysis experiments. The judge agreed with human evaluation on 85.7% of reviewed records and was significantly more effective than a heuristic string-matching baseline at catching errors across related experiments. Deployed across 3,942 extracted records from 561 papers, the framework accepted 67.5% of them as written. Its proposed corrections concentrated on quantitative fields, where the extractor often conflated related experiments. We release the extracted dataset with the complete LLM judge audit logs, as well as the Chemistry Data Extractor Toolkit, an open-source application implementing this end-to-end pipeline in a code-free, browser-based environment for document parsing, customizable schema and prompt design, model-agnostic extraction and auditing, interactive provenance-highlighted review, and reproducible dataset bundling.

What we could verify

These are the protocol signals we could actually recover from the available paper metadata. Use them to decide whether this paper is worth deeper reading.

Human Feedback Types

missing

None explicit

No explicit feedback protocol extracted.

"Large language models can rapidly extract structured multivariate experimental data from the chemistry literature, yet verifying thousands of generated records without ground truth remains difficult."

Evaluation Modes

partial

Human Eval, Llm As Judge, Automatic Metrics

Includes extracted eval setup.

"Large language models can rapidly extract structured multivariate experimental data from the chemistry literature, yet verifying thousands of generated records without ground truth remains difficult."

Quality Controls

missing

Not reported

No explicit QC controls found.

"Large language models can rapidly extract structured multivariate experimental data from the chemistry literature, yet verifying thousands of generated records without ground truth remains difficult."

Benchmarks / Datasets

missing

Not extracted

No benchmark anchors detected.

"Large language models can rapidly extract structured multivariate experimental data from the chemistry literature, yet verifying thousands of generated records without ground truth remains difficult."

Reported Metrics

partial

Accuracy

Useful for evaluation criteria comparison.

"Prompt ablations show that requiring chunk-level citations not only provides provenance down to specific paragraphs and tables but also improves extraction accuracy."

Benchmarks and datasets

No benchmark or dataset names were extracted from the available abstract.

Reported metrics

accuracy
Human feedback details
Uses human feedback
No
Feedback types
None
Rater population
Not reported
Expertise required
Coding
Evaluation details
Evaluation modes
Human Eval, Llm As Judge, Automatic Metrics
Agentic eval
None
Quality controls
Not reported
Evidence quality
Low
Use this page as
Secondary protocol comparison source

Research brief

Metadata summary

Large language models can rapidly extract structured multivariate experimental data from the chemistry literature, yet verifying thousands of generated records without ground truth remains difficult.

Based on abstract + metadata only. Check the source paper before making high-confidence protocol decisions.

Key takeaways

  • Large language models can rapidly extract structured multivariate experimental data from the chemistry literature, yet verifying thousands of generated records without ground truth remains difficult.
  • We present a general, citation-grounded extraction and verification methodology centered on an independent "LLM-as-a-judge", applied to the literature on homogeneous catalytic poly(ethylene terephthalate) (PET) depolymerisation.
  • In this pipeline, an extractor LLM generates schema-enforced records from research papers with citations to document chunks tagged with universally unique identifiers (UUIDs); an independent LLM judge then reads the full paper alongside each record, flags unsupported fields, and proposes cited corrections.

Researcher actions

  • Compare this paper against nearby papers in the same arXiv category before using it for protocol decisions.
  • Validate inferred eval signals (Human evaluation, Automatic metrics) against the full paper.
  • Use related-paper links to find stronger protocol-specific references.

Caveats

  • Generated from abstract + metadata only; no PDF parsing.
  • Signals below are heuristic and may miss details reported outside the abstract.

Recommended queries

Contribution summary

  • Large language models can rapidly extract structured multivariate experimental data from the chemistry literature, yet verifying thousands of generated records without ground truth remains difficult.
  • We present a general, citation-grounded extraction and verification methodology centered on an independent "LLM-as-a-judge", applied to the literature on homogeneous catalytic poly(ethylene terephthalate) (PET) depolymerisation.

Why it matters for eval

  • In this pipeline, an extractor LLM generates schema-enforced records from research papers with citations to document chunks tagged with universally unique identifiers (UUIDs); an independent LLM judge then reads the full paper alongside…

Researcher checklist

  • Human feedback protocol is explicit

    No explicit human feedback protocol detected.

  • Evaluation mode is explicit

    Detected: Human Eval, Llm As Judge, Automatic Metrics

  • Quality control reporting appears

    No calibration/adjudication/IAA control explicitly detected.

  • Benchmark or dataset anchors are present

    No benchmark/dataset anchor extracted from abstract.

  • Metric reporting is present

    Detected: accuracy