Evidence map›Paper›PMID 42239775›Full record

ArticleResearch square2026

Machine Learning Models with a Reject Option to Minimize Prediction Error: Application to Optical Properties of Dye Molecules.

James Wellnitz, Travis Maxfield, Matthew Hart, Marielle Rath, Kathryn Kirchoff, Konstantin Popov, Alexander Tropsha

Abstract readPreprint
In one paragraph

Article in Research square, 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

7 authors.

James WellnitzUniversity of North Carolina at Chapel Hill.
Travis MaxfieldUniversity of North Carolina at Chapel Hill.
Matthew HartUniversity of North Carolina at Chapel Hill.
Marielle RathUniversity of North Carolina at Chapel Hill.
Kathryn KirchoffUniversity of North Carolina at Chapel Hill.
Konstantin PopovUniversity of North Carolina at Chapel Hill.
Alexander TropshaUniversity of North Carolina at Chapel Hill.

Funding

Enabling the Accelerated Discovery of Novel Chemical Probes by Integration of Crystallographic, Computational, and Synthetic Chemistry ApproachesR01GM140154 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI TROPSHA, ALEXANDER, WILLSON, TIMOTHY M · 2021 to 2024
$2.4M
UNC Chemical Biology Interface Training ProgramT32GM135122 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI Jeffrey Aube · 2021 to 2026
$1.6M
NIGMS NIH HHS R01 GM140154NIGMS NIH HHS T32 GM135122
6 · The paper itself

Abstract

Predictions of the optical properties of dyes must be exceptionally accurate because even a small prediction error of, for instance, the wavelength can dramatically misrepresent the dye visible color. To address this challenge, we developed a novel model dubbed

Identifiers

PMID42239775
PMCPMC13228801

What OpenQuestion holds

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LicenceCC BY
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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.