Evidence map›Paper›PMID 34555907›Full record

ArticleJournal of chemical theory and computation2021

Chemistrees: Data-Driven Identification of Reaction Pathways

Sander Roet, Christopher D Daub, Enrico Riccardi

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Uncertainty Quantification forChemical reviews · 2026
    Review
  2. Enhanced Sampling and Free Energy Calculations in Protein Simulations.Advances in experimental medicine and biology · 2026
    Review
  3. NaCl Dissociation Explored Through Predictive Power Path Sampling Analysis.Journal of chemical theory and computation · 2025
    Article
  4. 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

3 authors.

Sander RoetDepartment of Chemistry, Norwegian University of Science and Technology, Høgskoleringen 5, 7491 Trondheim, Norway.ORCID https://orcid.org/0000-0003-0732-545X
Christopher D DaubDepartment of Chemistry, University of Helsinki, P.O. Box 55, FI-00014 Helsinki, Finland.ORCID https://orcid.org/0000-0002-4290-9058
Enrico RiccardiDepartment of Informatics, UiO, Gaustadalléen 23B, 0373 Oslo, Norway.ORCID https://orcid.org/0000-0003-1890-7113

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We propose to analyze molecular dynamics (MD) output

Identifiers

PMID34555907
PMCPMC8515787

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.