mlsanityData to 7 Oct 2026

Beyond Manual Curation: Augmenting Targeted Protein Degradation Databases via Agentic Literature Extraction Workflows

arXiv 2605.11221 ↗First posted 11 May 2026q-bio.QM cs.LGcited by 0

Not on the map. Why?

Abstract (arXiv)

Predictive models in biomedicine depend on structured assay data locked in the text, tables, and supplements of primary publications. This bottleneck is especially acute in targeted protein degradation (TPD), where each assay record must combine compound identity, degradation target, recruiter, assay context, and endpoint values reported across sections, tables, and supplementary files. Inconsistent compound identifiers and incomplete or implicit assay context further demand domain-specific logic that generic LLM pipelines do not provide. Existing molecular glue and PROTAC databases are manually curated and often lack the experimental context required for downstream modeling. We formulate TPD database extraction as a domain-specific curation task and present an expert-in-the-loop LLM workflow, evaluated through a triangular comparison among LLM predictions, standardized baseline records, and expert-annotated ground truth. A lightweight cross-validated prompt-refinement module adapts extraction instructions from scarce expert annotations. With only seven annotated molecular glue publications, the workflow achieved record-level F1 = 0.98 and transferred to PROTACs by terminology substitution alone, maintaining record-level F1 > 0.93. Applied at scale, it expanded molecular glue and PROTAC databases by 81% and 92% records, respectively, with 92% and 82.5% of newly recovered records validated as correct upon expert review. The workflow also recovered kinetic and assay-context information essential for cross-study potency comparison and condition-aware degradation modeling. We release the workflow, prompts, evaluation code, and extracted datasets as resources for TPD data curation and AI-assisted scientific curation more broadly.

Key facts. No citing papers in the map yet (data through 7 Oct 2026). Builds on 6 of its 32 references that are in the map. First posted on arXiv 11 May 2026.

Builds on

6 of 32 references.

References · 6

  1. 2023DSPy: Compiling Declarative Language Model Calls into Self-Improving Pipelinescited by 803
  2. 2023Extracting Accurate Materials Data from Research Papers with Conversational Language Models and Prompt Engineeringcited by 86
  3. 2021MatSciBERT: A Materials Domain Language Model for Text Mining and Information Extractioncited by 82
  4. 2025LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literaturecited by 2
  5. 2026An autonomous living database for perovskite photovoltaicscited by 2
  6. 2024A Comprehensive Review of Emerging Approaches in Machine Learning for De Novo PROTAC Designcited by 1

Built on by

Not cited yet.

Similar, not cited

Close in wording, no citation either way

  1. 2026MolDeTox: Evaluating Language Model's Stepwise Fragment Editing for Molecular Detoxification
  2. 2026BioMiner: A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
  3. 2024DrugAgent: Reliable Multi-Agent Integration of Conflicting Biomedical Evidence for Drug-Target Interaction Assessment
  4. 2025Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?
  5. 2026Toward a Locally Deployable Agentic Co-Scientist: Small-Model Planning for Early-Stage Drug Discovery
  6. 2026From Residuals to Reasons: LLM-Guided Mechanism Inference from Tabular Data
  7. 2026Evaluating Agentic Bioinformatics through Function, Evidence, and Validation
  8. 2025Doc2SAR: A Synergistic Framework for High-Fidelity Extraction of Structure-Activity Relationships from Scientific Documents