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Record W2018518196 · doi:10.1093/nar/gkt1068

DrugBank 4.0: shedding new light on drug metabolism

2013· article· en· W2018518196 on OpenAlexafffund
Vivian Law, Craig Knox, Yannick Djoumbou-Feunang, Tim Jewison, An Chi Guo, Yifeng Liu, Adam Maciejewski, David Arndt, Michael Wilson, Vanessa Neveu, Alexandra Tang, Geraldine G. Gabriel, Carol Ly, Sakina Adamjee, Zerihun T. Dame, You Zhou, David S. Wishart

Bibliographic record

VenueNucleic Acids Research · 2013
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsNational Institute for NanotechnologyUniversity of Alberta
FundersGenome AlbertaCanadian Institutes of Health ResearchAlberta InnovatesAlberta Innovates - Health SolutionsGenome Canada
KeywordsDrugBankIn silicoDrugDrug metabolismDrug discoveryPharmacologyBiologyComputational biologyBioinformaticsBiochemistry

Abstract

fetched live from OpenAlex

OpenAlex records an abstract for this work, but it could not be fetched just now.

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)0.010
metaresearch head score (Gemma)0.024
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Software · Consensus signal: none
Teacher disagreement score0.032
Threshold uncertainty score0.000

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0100.024
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0030.002
Bibliometrics0.0060.010
Science and technology studies0.0010.001
Scholarly communication0.0070.007
Open science0.0030.005
Research integrity0.0020.004
Insufficient payload (model declined to judge)0.0320.025

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 head0.050
GPT teacher head0.367
Teacher spread0.317 · 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 designNot applicable
Domainnot available
GenreSoftware

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

Citations2,064
Published2013
Admission routes2
Has abstractyes

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