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Seeing the invisible by NMR spectroscopy

2018· article· en· W3174706135 on OpenAlexaff
Lewis E. Kay

Bibliographic record

VenueThe FASEB Journal · 2018
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsComplementarity (molecular biology)Nuclear magnetic resonance spectroscopyComputer scienceChemistryNanotechnologyPhysicsNuclear magnetic resonanceBiologyMaterials scienceGenetics

Abstract

fetched live from OpenAlex

With the ever‐evolving development of new biophysical tools and increasingly powerful techniques for biomolecular structural studies it is reasonable to contemplate the role of solution based NMR spectroscopy in going forward. In this talk I will describe a number of studies on molecular machines from my laboratory, emphasizing the unique role that NMR can play in providing quantitative descriptions of molecular dynamics and how such motion relates to function. The complementarity of NMR to other structural techniques is such that as they continue to advance so to will the utility of NMR. If anything NMR is far more valuable today than it was even a decade ago. This will be emphasized through a number of examples. This abstract is from the Experimental Biology 2018 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

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)0.004
metaresearch head score (Gemma)0.005
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.006
Threshold uncertainty score0.024

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0040.005
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0020.007
Scholarly communication0.0040.012
Open science0.0010.004
Research integrity0.0040.009
Insufficient payload (model declined to judge)0.0060.004

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 head0.009
GPT teacher head0.249
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

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 designBench or experimental
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
Published2018
Admission routes1
Has abstractyes

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