KinMod database: a tool for investigating metabolic regulation
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Bibliographic record
Abstract
The ability of current kinetic models to simulate the phenotypic behaviour of cells is limited since cell metabolism is regulated at different levels including enzyme regulation. The small molecule regulation network (SMRN) enables cells to respond rapidly to environmental fluctuations by controlling the activity of enzymes in metabolic pathways. However, SMRN is not as well studied relative to metabolic networks. The main contributor to the lack of knowledge on this regulatory system is the sparsity of experimental data and the absence of a standard framework for representing available information. In this paper, we introduce the KinMod database that encompasses more than 2 million data points on the metabolism and metabolic regulation network of 9814 organisms KinMod database employs a hierarchical data structure to: (i) signify relationships between kinetic information obtained through in-vitro experiments and proteins, with an emphasis on SMRN, (ii) provide a thorough insight into available kinetic parameters and missing experimental measurements of this regulatory network and (iii) facilitate machine learning approaches for parameter estimation and accurate kinetic model construction by providing a homogeneous list of linked omics data. The hierarchical ontology of the KinMod database allows flexible exploration of data attributes and investigation of metabolic relationships within- and cross-species. Identifying missing experimental values suggests additional experiments required for kinetic parameter estimation. Linking multi-omics data and providing data on SMRN encourages the development of novel machine learning techniques for predicting missing kinetic parameters and promotes accurate kinetic model construction of cells metabolism by providing a comprehensive list of available kinetic measurements. To illustrate the value of KinMod data, we develop six analyses to visualize associations between data classes belonging to separate sections of the metabolism. Through these analyses, we demonstrate that the KinMod database provides a unique framework for biologists and engineers to retrieve, evaluate and compare the functional metabolism of species, including the regulatory network, and discover the extent of available and missing experimental values of the metabolic regulation. Database URL: https://lmse.utoronto.ca/kinmod/KINMOD.sql.gz.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it