Evidence map›Paper›PMID 42796637›Full record

ArticleMolecules (Basel, Switzerland)2026

Interpretable Deep Supramolecular Language Modeling for Cocrystal Design: PCA-Augmented

Bahadır Bozkurt, Ayberk Yilmaz, Gulce Ogruc Ildiz, Rui Fausto

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors.

Bahadır BozkurtSpectroscopy@IKU, IKU-SPECTRA Molecular Sciences and Spectroscopy Applied Research Center, Istanbul Kultur University, Atakoy Campus, Bakirkoy, Istanbul 34156, Türkiye.ORCID 0000-0002-8308-4929
Ayberk YilmazSpectroscopy@IKU, IKU-SPECTRA Molecular Sciences and Spectroscopy Applied Research Center, Istanbul Kultur University, Atakoy Campus, Bakirkoy, Istanbul 34156, Türkiye.
Gulce Ogruc IldizSpectroscopy@IKU, IKU-SPECTRA Molecular Sciences and Spectroscopy Applied Research Center, Istanbul Kultur University, Atakoy Campus, Bakirkoy, Istanbul 34156, Türkiye.ORCID 0000-0002-7827-5050
Rui FaustoSpectroscopy@IKU, IKU-SPECTRA Molecular Sciences and Spectroscopy Applied Research Center, Istanbul Kultur University, Atakoy Campus, Bakirkoy, Istanbul 34156, Türkiye.ORCID 0000-0002-8264-6854

Funding

European Union 101184899
6 · The paper itself

Abstract

Cocrystallization is an effective strategy for modifying the physicochemical properties of active pharmaceutical ingredients (APIs), yet rational coformer selection remains challenging. In this work, we propose an interpretable extension of

Indexed as

NiacinamidePicolinic AcidsCrystallizationCrystallography, X-RayHydrogen BondingModels, MolecularMolecular StructurePrincipal Component AnalysisisonicotinamideNiacinamidepicolinamidePicolinic AcidscocrystallizationDeepCocrystalisonicotinamide)nicotinamidePCA interpretationpyridinecarboxamides (picolinamideΔpKa post-filtering rule

Identifiers

PMID42796637
PMCPMC13610686

What OpenQuestion holds

Textmetadata
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.