MétaCan
Menu
Back to cohort
Record W2321598821 · doi:10.1107/s0108767308079658

Identification of novel fragment-based hits for<i>P. berghei</i>orotidine 5′-monophosphate decarboxylase

2008· article· en· W2321598821 on OpenAlexaff
Nickolay Y. Chirgadze, Robert Lam, K.P. Battaile, Ruth Gordon, G. Kisselman, J.D. Artz, R. Hui, Lisa J. Keefe, C. Arrowsmith, E.F. Pai

Bibliographic record

VenueActa Crystallographica Section A Foundations of Crystallography · 2008
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicBiochemical and biochemical processes
Canadian institutionsStructural Genomics ConsortiumUniversity of TorontoOntario Institute for Cancer Research
Fundersnot available
KeywordsFragment (logic)Identification (biology)ChemistryComputational biologyBiochemistryComputer scienceBiologyAlgorithmBotany

Abstract

fetched live from OpenAlex

For a quarter of a century the isolation of polymorph from III of paracetamol has been a problem due to its instability. In 1997 P. Di Martino et al [1] published the first route to prepare form III of paracetamol but they were not able to observe an x-ray diffractogram from form III. Recently J.B. Burley et al [2] isolated the polymorphic form III, but they could not draw conclusions from the powder diffractogram due to the large non-crystalline fraction. In this paper we present x-ray powder diffraction data from paracetamol form III as well as data from forms II and I. Also data collected at non-ambient temperatures will be discussed. Lattice parameters and a structure for form III will be proposed on the basis of the collected x-ray powder diffraction data.

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 categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.059
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.000
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 head0.014
GPT teacher head0.247
Teacher spread0.233 · 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 designBench or experimental
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
Published2008
Admission routes1
Has abstractyes

Explore more

Same venueActa Crystallographica Section A Foundations of CrystallographySame topicBiochemical and biochemical processesFrench-language works237,207