Evidence map›Paper›PMID 37552831›Full record

ArticleJournal of chemical theory and computation2023

Interpretable Machine Learning of Amino Acid Patterns in Proteins: A Statistical Ensemble Approach.

Anna Braghetto, Enzo Orlandini, Marco Baiesi

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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.

Anna BraghettoDepartment of Physics and Astronomy, University of Padova, Via Marzolo 8, 35131 Padua, Italy.ORCID 0009-0008-7039-3811
Enzo OrlandiniDepartment of Physics and Astronomy, University of Padova, Via Marzolo 8, 35131 Padua, Italy.ORCID 0000-0003-3680-9488
Marco BaiesiDepartment of Physics and Astronomy, University of Padova, Via Marzolo 8, 35131 Padua, Italy.ORCID 0000-0002-4513-9191

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Explainable and interpretable unsupervised machine learning helps one to understand the underlying structure of data. We introduce an ensemble analysis of machine learning models to consolidate their interpretation. Its application shows that restricted Boltzmann machines compress consistently into a few bits the information stored in a sequence of five amino acids at the start or end of α-helices or β-sheets. The weights learned by the machines reveal unexpected properties of the amino acids and the secondary structure of proteins: (i) His and Thr have a negligible contribution to the amphiphilic pattern of α-helices; (ii) there is a class of α-helices particularly rich in Ala at their end; (iii) Pro occupies most often slots otherwise occupied by polar or charged amino acids, and its presence at the start of helices is relevant; (iv) Glu and especially Asp on one side and Val, Leu, Iso, and Phe on the other display the strongest tendency to mark amphiphilic patterns, i.e., extreme values of an

Indexed as

Amino AcidsMachine LearningAmino Acid SequencePeptide FragmentsTrypsinAmino AcidsPeptide FragmentsTrypsin

Identifiers

PMID37552831
PMCPMC10500975

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.