Evidence map›Paper›PMID 41519828›Full record

ArticleScientific data2026

A Dataset of Plausible Proton Transfer Steps for Arrow-Pushing Mechanisms.

Alexander E Dashuta, Ryan J Miller, Pierre Baldi, Thomas Sander, David L Van Vranken

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Scientific data, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. Mechanism-Aware Deep Learning for Polar Reaction Prediction.Journal of the American Chemical Society · 2025
    Article
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

5 authors.

Alexander E DashutaDepartment of Chemistry, University of California, Irvine, CA, 92697, USA.
Ryan J MillerDepartment of Computer Science, University of California, Irvine, CA, 92697, USA.
Pierre BaldiDepartment of Computer Science, University of California, Irvine, CA, 92697, USA.
Thomas SanderAlipheron AG, Schlossweg 63, 4143 Dornach, Switzerland.
David L Van VrankenDepartment of Chemistry, University of California, Irvine, CA, 92697, USA. david.vv@uci.edu.ORCID http://orcid.org/0000-0001-5964-7042

Funding

National Science Foundation (NSF) CHE 1955811
6 · The paper itself

Abstract

Proton transfers are fundamental steps in polar reaction mechanisms. We generated a large dataset of over 51 million kinetically plausible proton transfer steps between heteroatoms from about 8,000 acids and conjugate bases with experimental aqueous pK

Identifiers

PMID41519828
PMCPMC12873387

What OpenQuestion holds

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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.