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Peer Review #2 of "Comparing enzyme activity modifier equations through the development of global data fitting templates in Excel (v0.1)"

2018· peer-review· en· W4233324993 on OpenAlexaff
Ryan Walsh

Bibliographic record

Venuenot available
Typepeer-review
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsInstitut National de la Recherche ScientifiqueArmand Frappier Museum
Fundersnot available
KeywordsTemplateComputer scienceData miningChemistryProgramming language

Abstract

fetched live from OpenAlex

The classical way of defining enzyme inhibition has obscured the distinction between inhibitory effect and the inhibitor binding constant.This article examines the relationship between the simple binding curve used to define biomolecular interactions and the standard inhibitory term (1+([I]/K i )).By understanding how this term relates to binding curves which are ubiquitously used to describe biological processes, a modifier equation which distinguishes between inhibitor binding and the inhibitory effect, is examined.This modifier equation which can describe both activation and inhibition is compared to standard inhibitory equations with the development of global data fitting templates in Excel and via the global fitting of these equations to simulated and previously published datasets.In both cases, this modifier equation was able to match or outperform the other equations by providing superior fits to the datasets.The ability of this single equation to outperform the other equations suggests an over-complication of the field.This equation and the template developed in this article should prove to be useful tools in the study of enzyme inhibition and activation.

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)0.016
metaresearch head score (Gemma)0.136
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch
Consensus categoriesnone
DomainCandidate signal: Evaluation · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Other · Consensus signal: Other
Teacher disagreement score0.984
Threshold uncertainty score0.542

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0160.136
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0050.003
Science and technology studies0.0030.001
Scholarly communication0.0050.003
Open science0.0030.004
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.1620.126

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 head0.299
GPT teacher head0.454
Teacher spread0.155 · 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.

Study designNot applicable
DomainEvaluation
GenreOther

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
Published2018
Admission routes1
Has abstractyes

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