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Record W3213380954 · doi:10.1021/acs.jchemed.1c00296

Click, Zoom, Explore: Interactive 3D ( <i>i</i> -3D) Figures in Standard Teaching Materials (PDFs)

2021· article· en· W3213380954 on OpenAlexafffund
Sourav Chatterjee, Sooyeon Moon, Amanda Rowlands, Fred Chin, Peter H. Seeberger, Nabyl Merbouh, Kerry Gilmore

Bibliographic record

VenueJournal of Chemical Education · 2021
Typearticle
Languageen
FieldChemistry
TopicVarious Chemistry Research Topics
Canadian institutionsSimon Fraser University
FundersSimon Fraser UniversityMax-Planck-GesellschaftDeutsche Forschungsgemeinschaft
KeywordsZoomComputer scienceVariety (cybernetics)SoftwareReading (process)CheminformaticsBeautyMultimediaComputer graphics (images)Human–computer interactionComputational scienceEngineering drawingChemistryArtificial intelligenceOpticsProgramming languagePhysics

Abstract

fetched live from OpenAlex

While chemistry exists in three dimensions, it is presented in two. This down-conversion results in a significant loss in information and often necessitates multiple images/figures to convey the complexity, intricacy, and beauty of a given structure. Currently, three-dimensional models are built to allow students to interact with molecules. However, model building for students is time-consuming, has the potential for error, and requires the purchase of a model kit. Outlined herein is a concise, straightforward method for incorporating interactive three-dimensional ( i- 3D) figures into teaching aids in PDF format. These figures can be generated from a variety of sources and allow for structures, molecular orbitals, unit cells and crystal lattices, as well as biopolymers to be presented in the same information-rich format as they are created. These images can be seen and interacted with by anyone reading the file in the standard PDF software (Adobe Reader). It is time for chemical education to take advantage of the digital age.

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)0.001
metaresearch head score (Gemma)0.005
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.466
Threshold uncertainty score0.762

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.005
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0020.003
Open science0.0020.002
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.4660.241

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 head0.020
GPT teacher head0.339
Teacher spread0.318 · 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
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

Citations1
Published2021
Admission routes2
Has abstractyes

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