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Record W4414295580 · doi:10.1021/acs.jcim.5c01231

When Does Additional Information Improve Accuracy of RNA Secondary Structure Prediction?

2025· article· en· W4414295580 on OpenAlexaff
Luis Sánchez Giraldo, Duc Duy Nguyen, Matthew T. Wheeler, David Murrugarra

Bibliographic record

VenueJournal of Chemical Information and Modeling · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicRNA and protein synthesis mechanisms
Canadian institutionsToronto Metropolitan University
FundersSimons FoundationUniversity of KentuckyNational Science Foundation
KeywordsNucleic acid secondary structureSimilarity (geometry)Representation (politics)Feature (linguistics)Random forestProtein secondary structureSensitivity (control systems)Pattern recognition (psychology)

Abstract

fetched live from OpenAlex

The secondary structure of an RNA sequence plays an important role in determining its function, and accurate prediction of the structure is still a major goal in computational biology. Improvements in the prediction accuracy of the secondary structure can be achieved via auxiliary information. In this paper, we study features based on suboptimal formations competing with the minimum-free energy formation and investigate their role in determining the improvement of accuracy via auxiliary information, which we call directability. Here, we introduce a similarity measure among competing substructures called profiles. Then, we present an n -dimensional representation of the profiles which allows the use of topological data analysis (i.e., persistence landscapes) to obtain different metrics that represent topological features. Then, we built random forest classifiers using these novel features. We show how the similarity feature is more important for classifiers trained on sequences with similar structures while the topological features are more important for classifiers trained on sequences with dissimilar structures. We perform extensive testing on two sets of RNA sequences where we studied the sensitivity of the classification accuracy and their feature importance.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.008
metaresearch head score (Gemma)0.052
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.008
Threshold uncertainty score0.041

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0080.052
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0020.001
Science and technology studies0.0010.001
Scholarly communication0.0020.006
Open science0.0010.001
Research integrity0.0030.002
Insufficient payload (model declined to judge)0.0010.001

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.

Opus teacher head0.005
GPT teacher head0.225
Teacher spread0.220 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations0
Published2025
Admission routes1
Has abstractyes

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