Auditing Haldane Consistency in Reversible Enzyme Kinetics: A Curated Two-Sided Backbone and a Labeled Fold-Error Benchmark
Abstract
Reversible enzyme kinetic constants can be audited through the Haldane relation: the apparent equilibrium constant implied by the rate law should match biochemical thermodynamics under matched conditions. We use the reciprocal cost , with , as a calibrated, direction-symmetric reporting scale. The score is zero at agreement, penalizes reciprocal over- and underestimates equally, encodes the free-energy discrepancy in units, and ranks records identically to ; the contribution is therefore biochemical curation, a reproducible workflow, and fold-error calibration rather than a new ordering. We apply the score to a curated demonstration set and, under prespecified inclusion criteria, assemble a two-sided backbone of twenty-one audited single-study records. Eight genuinely independent tests pair kinetics fit without a thermodynamic prior against separately measured equilibria; all eight fall within twofold (maximum ), although this remains a feasibility demonstration. Across the full backbone, eighteen records fall within twofold and three are flagged. The backbone is concentrated in carbohydrate isomerases and epimerases, so these results are within-family observations. Because real records carry no ground-truth labels, a semi-synthetic benchmark (twenty-nine within-twofold seeds, injected known-error cases) quantifies detectability: AUC ( bootstrap CI --), conditional on the injected error taxonomy and invariant under monotone rescaling of . All data, code, protocol, and benchmark generator are archived for exact reproduction.
Keywords
Cite
@article{arxiv.2607.02784,
title = {Auditing Haldane Consistency in Reversible Enzyme Kinetics: A Curated Two-Sided Backbone and a Labeled Fold-Error Benchmark},
author = {Megan Simons and Jonathan Washburn},
journal= {arXiv preprint arXiv:2607.02784},
year = {2026}
}
Comments
50 pages, 8 figures, supplementary material and reproducibility code/data included as ancillary files