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Dataset for: Structural Constraints on Material-Identity-Aware Validation in Literature-Derived Nanotoxicology Models
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This is a dataset, not a study of a substance in cells or animals. It provides the data, logs and checklists behind a separate analysis checking whether toxicity tests for carbon nanotubes and polystyrene nanoparticles reliably tracked which exact material was used across published lab studies.
This dataset accompanies the manuscript “Structural Constraints on Material-Identity-Aware Validation in Literature-Derived Nanotoxicology Models”. The data package contains manuscript-facing processed datasets, audit outputs, frozen decision logs, material-identity summaries, publication-lineage diagnostics, feature-taxonomy summaries, article-grouped out-of-fold model-output summaries, paired article-cluster bootstrap summaries, calibration summaries, and top-risk operating-point diagnostics used to support the analyses reported in the manuscript. The study evaluates whether material-identity-aware validation can be structurally established before model interpretation in two literature-derived nanotoxicology corpora: an in vitro carbon nanotube cytotoxicity corpus and a polystyrene nanoparticle/microplastic cytotoxicity corpus. The package is intended to support transparency, reproducibility, and traceability of the frozen audit workflow, identity-feasibility decisions, leakage-control structure, and clustered model-evaluation summaries. The package includes a README file, data dictionary, manifest with SHA-256 checksums, manuscript-facing aggregate tables, supplementary information document, and source workbooks used to assemble the reported summaries. Some source-level materials derived from copyrighted publications are not redistributed; where applicable, only processed or manuscript-facing outputs are included.
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