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Record W4392598304 · doi:10.26434/chemrxiv-2024-m15pr

Kinalite   A User-Friendly Online Tool for AutomatedVariable Time Normalization Analysis (VTNA)

2024· preprint· en· W4392598304 on OpenAlex
Finn Bork, Sean Clark, Peter Burland, David Sale, Jason E. Hein

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldComputer Science
TopicTime Series Analysis and Forecasting
Canadian institutionsUniversity of British Columbia
FundersNatural Sciences and Engineering Research Council of CanadaCanada Foundation for Innovation
KeywordsNormalization (sociology)Variable (mathematics)Computer scienceUser FriendlyArtificial intelligenceMathematicsOperating systemSociology

Abstract

fetched live from OpenAlex

We introduce Kinalite, an innovative automation software designed to streamline kinetic analysis in chemical research. This tool utilizes concentration versus time profiles to conduct Variable Time Normalization Analysis (VTNA), effectively bypassing the trial-and-error approach and minimizing biases common in manual VTNA applications. Kinalite delivers a graphical representation of optimally aligned reaction curves, and the precise calculation of reaction orders for specified reagents. Uniquely, it provides an option to quantify the accuracy of VTNA results. Kinalite's user-friendly interface is accessible as an interactive website at https://kinalite.heinlab.com and as a GitLab repository, supporting real-time analytical capabilities. It is tailored to serve a wide spectrum of researchers, offering enhanced efficiency and accuracy in kinetic studies. Kinalite represents a significant advancement in the field, enabling deeper insights and optimizations in various chemical processes.

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.

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Scholarly communication
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.458
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.002
Science and technology studies0.0000.000
Scholarly communication0.0010.000
Open science0.0010.002
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.013
GPT teacher head0.253
Teacher spread0.240 · 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