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Record W4409263339 · doi:10.1021/acs.cgd.5c00089

Hiding in Plain Sight: Polymorphs of Riluzole

2025· article· en· W4409263339 on OpenAlexafffund
Abdel Rahman Al Ahmad, Thierry Maris, James D. Wuest

Bibliographic record

VenueCrystal Growth & Design · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicChemical Synthesis and Analysis
Canadian institutionsUniversité de Montréal
FundersFonds de recherche du Québec – Nature et technologiesNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsCanada Foundation for InnovationCentre québécois sur les matériaux fonctionnels
KeywordsRiluzoleSightMedicineChemistryStereochemistryInternal medicinePhysicsOpticsAmyotrophic lateral sclerosis

Abstract

fetched live from OpenAlex

Riluzole is a glutamate modulator approved by the U.S. Food and Drug Administration in 1995 for treating amyotrophic lateral sclerosis. Although the drug is typically formulated as a solid in tablets for oral administration, little has been published about the crystallinity, structure, and polymorphism of the compound. We have found that riluzole can exist in at least three crystalline forms: a previously reported triclinic P 1̅ Form I and two new monoclinic P 2 1 / c Forms II and III. The relative stability of the forms has been established, and the structure of the form used commercially has been determined. Our study illustrates the difficulty of characterizing polymorphic landscapes when different forms have close structural relationships, when crystallites tend to adopt preferred orientations that complicate the analysis of powder diffractograms, and when computational predictions of structures with high values of Z ′ remain challenging. Because riluzole has a compact structure incorporating diverse functionality, including an aromatic core, fluorination, and a capacity for hydrogen bonding, its polymorphism is a subject of special interest at a time when the number of fluorinated drugs is growing rapidly.

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: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.051
Threshold uncertainty score0.419

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 science0.0000.000
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 head0.009
GPT teacher head0.228
Teacher spread0.219 · 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

Citations3
Published2025
Admission routes2
Has abstractyes

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