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Record W2777918966 · doi:10.1107/s2053273317089938

Teaching undergraduates about structure using database examples

2017· article· en· W2777918966 on OpenAlexaff
Louise N. Dawe

Bibliographic record

VenueActa Crystallographica Section A Foundations and Advances · 2017
Typearticle
Languageen
FieldComputer Science
TopicEducational Technology and Assessment
Canadian institutionsWilfrid Laurier University
Fundersnot available
KeywordsDatabaseMathematics educationComputer scienceInformation retrievalPsychology

Abstract

fetched live from OpenAlex

Throughout undergraduate curriculum in North America, the requirement for understanding structure is explicit. For example, in first year general chemistry, Valence Shell Electron Pair Repulsion (VSEPR) theory is used to predict the geometric shape of a molecule based on its electron repulsion forces. The shape of the molecule is determined by minimizing (bonding and non-bonding) electron group repulsions surrounding the central atom(s). [1] Methodology to achieve understanding of concepts related to structure, however, is ordinarily not explicit, and in the case of VSEPR, student learning activities have traditionally involved modeling molecular shapes using manufactured kits, or with materials that are readily available (for example, Styrofoam balls, or marshmallows and toothpicks.) [2] These activities are based on ideal geometry assumptions, and lead to the question, for molecules with a combination of bonding and non-bonding electron groups, how much is "less than" ideal angles? Similarly, in senior chemistry courses, students face structural questions related to resonance, coordination number, the explanation of spectroscopic features, and magnetic properties. The use of active learning engagement through structural database explorations can be employed to address questions at both firstyear, and senior levels. Practical approaches to these questions will be explored, with an emphasis on using information available from the Cambridge Structural Database. [3]

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 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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesScience and technology studies
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.511
Threshold uncertainty score0.998

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0030.000
Scholarly communication0.0010.003
Open science0.0000.000
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 head0.028
GPT teacher head0.331
Teacher spread0.303 · 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 teacher head, not a consensus.

Study designTheoretical or conceptual
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
Published2017
Admission routes1
Has abstractyes

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