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Record W4238375366 · doi:10.26434/chemrxiv.13515086.v2

Topino: A Graphical Tool for Quantitative Assessment of Molecular Stream Separations

2021· preprint· en· W4238375366 on OpenAlexafffund
Sven Kochmann, Nikita A. Ivanov, Kevin S. Lucas, Sergey N. Krylov

Bibliographic record

VenueChemRxiv · 2021
Typepreprint
Languageen
FieldEngineering
TopicMicrofluidic and Capillary Electrophoresis Applications
Canadian institutionsYork University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsComputer scienceBottleneckSoftwareGraphical user interfaceData streamData mining

Abstract

fetched live from OpenAlex

In molecular-stream separation (MSS), a stream of a multi-component mixture is separated into multiple streams of individual components. Quantitative evaluation of MSS data has been a bottleneck in MSS for decades as there was no conventional way to present the data in a reproducible and uniform fashion. The roots of the problem were in the multi-dimensional nature of MSS data; even in the ideal case of steady-state separation, the data is three-dimensional: intensity and two spatial coordinates. We recently found a way to reduce the dimensionality via presenting the MSS data in a polar coordinate system and convoluting the data via integration of intensity along the radius axis. The result of this convolution is an angulagram — a simple 2D plot presenting integrated intensity vs angle. Not only does an angulagram simplify the visual assessment, but it also allows the determination of three quantitative parameters characterizing the quality of MSS: stream width, stream linearity, and stream deflection. Reliably converting an MSS image into an angulagram and accurately determining the stream parameters requires an advanced and user-friendly software tool. In this technical note, we introduce such a tool: the open-source software Topino available at https://github.com/Schallaven/topino . Topino is a stand-alone program with a modern graphical user interface that allows processing an MSS image in a fast (<2 min) and straightforward way. The robustness and ruggedness of Topino were confirmed by comparing the results obtained by three users. Topino removes the analytical bottleneck in MSS and will be an indispensable tool for MSS users with varying levels of experience. p { margin-bottom: 0.25cm; direction: ltr; line-height: 115%; text-align: left; orphans: 2; widows: 2 }a:link { color: #0000ff }

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)0.003
metaresearch head score (Gemma)0.009
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: Methods · Consensus signal: Methods
Teacher disagreement score0.086
Threshold uncertainty score0.288

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0030.009
Meta-epidemiology (narrow)0.0040.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0050.002
Science and technology studies0.0010.001
Scholarly communication0.0030.003
Open science0.0030.003
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0860.025

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 head0.015
GPT teacher head0.292
Teacher spread0.277 · 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
GenreMethods

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
Published2021
Admission routes2
Has abstractyes

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