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Record W4230229717 · doi:10.1107/s0108270104004500

Enoxacin trihydrate

2004· article· en· W4230229717 on OpenAlexaff
Masood Parvez, Saeed Arayne, Najma Sultana, Ahsan Zamir Siddiqi

Bibliographic record

VenueActa Crystallographica Section C Crystal Structure Communications · 2004
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicCancer therapeutics and mechanisms
Canadian institutionsUniversity of Calgary
Fundersnot available
KeywordsZwitterionHydrogen bondRing (chemistry)EnoxacinCrystallographyChemistryCrystal structureGroup (periodic table)Unit (ring theory)MoleculeOrganic chemistryMathematics

Abstract

fetched live from OpenAlex

The structure of the title compound, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(piperazin-4-ium-1-yl)-1,8-naphthyridine-3-carboxylate trihydrate, C(15)H(17)FN(4)O(3).3H(2)O, has a zwitterion of enoxacin and three water molecules in the asymmetric unit. The zwitterions form sheets lying parallel to each other and are hydrogen bonded in a head-to-tail manner. The crystal structure is stabilized by the involvement of O and H atoms from all the water molecules in strong hydrogen bonds. The naphthyridine ring system is essentially planar, with the carboxylate group lying out of this plane at an angle of 26.13 (6) degrees and the ethyl group oriented at approximately right angles to this plane. The piperazinium ring adopts a chair conformation.

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 categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.956
Threshold uncertainty score0.974

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 studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
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 head0.257
Teacher spread0.243 · 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.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations8
Published2004
Admission routes1
Has abstractyes

Explore more

Same venueActa Crystallographica Section C Crystal Structure CommunicationsSame topicCancer therapeutics and mechanismsFrench-language works237,207