Evidence map›Paper›PMID 42011982›Full record

ArticleJournal of chemical information and modeling2026

Ensemble Analyzer: An Open-Source Python Framework for Automated Conformer Ensemble Refinement.

Andrea Pellegrini, Paolo Righi, Andrea Mazzanti, Michele Mancinelli

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 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.

Andrea PellegriniDepartment of Industrial Chemistry "Toso Montanari", Alma Mater Studiorum University of Bologna, Via P. Gobetti 85, 40129 Bologna, Italy.ORCID 0000-0001-5322-5949
Paolo RighiDepartment of Industrial Chemistry "Toso Montanari", Alma Mater Studiorum University of Bologna, Via P. Gobetti 85, 40129 Bologna, Italy.ORCID 0000-0003-1419-2560
Andrea MazzantiDepartment of Industrial Chemistry "Toso Montanari", Alma Mater Studiorum University of Bologna, Via P. Gobetti 85, 40129 Bologna, Italy.ORCID 0000-0003-1819-8863
Michele MancinelliDepartment of Industrial Chemistry "Toso Montanari", Alma Mater Studiorum University of Bologna, Via P. Gobetti 85, 40129 Bologna, Italy.ORCID 0000-0002-8499-5265

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Accurate prediction of molecular properties requires the refinement of the full conformational ensemble at high levels of theory, which remains computationally demanding. Existing workflows typically rely on

Indexed as

Molecular ConformationSoftwareAutomation

Identifiers

PMID42011982
PMCPMC13169348

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.