Evidence map›Paper›PMID 39524644›Full record

ArticleACS omega2024

Application of Machine Learning in the Development of Fourth Degree Quantitative Structure-Activity Relationship Model for Triclosan Analogs Tested against

Railton Marques de Souza Guimarães, Ivo Henrique Provensi Vieira, Fabrício Berton Zanchi, Rafael Andrade Caceres, Fernando Berton Zanchi

Abstract read
In one paragraph

Article in ACS omega, 2024. 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

5 authors.

Railton Marques de Souza GuimarãesLaboratório de Bioinformática e Química Medicinal, Fundação Oswaldo Cruz Rondônia, Porto Velho, Rondônia 76812-245, Brazil.ORCID https://orcid.org/0009-0008-4122-1690
Ivo Henrique Provensi VieiraLaboratório de Bioinformática e Química Medicinal, Fundação Oswaldo Cruz Rondônia, Porto Velho, Rondônia 76812-245, Brazil.
Fabrício Berton ZanchiCentro de Formação em Ciências Ambientais-CFCAm da Universidade Federal do Sul da Bahia-UFSB, Porto Seguro, Bahia 45810-000, Brazil.
Rafael Andrade CaceresLaboratório de Bioinformática Estrutural, Modelagem Molecular e Simulação de Biossistemas-Programa de Pós-Graduação em Biociências-Universidade Federal de Ciências da Saúde de Porto Alegre-UFCSPA, Porto Alegre, Rio Grande do Sul 90050-170, Brazil.
Fernando Berton ZanchiLaboratório de Bioinformática e Química Medicinal, Fundação Oswaldo Cruz Rondônia, Porto Velho, Rondônia 76812-245, Brazil.ORCID https://orcid.org/0000-0003-3386-0069

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Despite new therapies against malaria, this disease remains one of the main causes of death affecting humanity. The phenomenon of resistance has caused concern as the drugs no longer have the same efficacy, forcing scientific research to develop new methods that prospect new molecules. With the advancement of artificial intelligence, it becomes possible to apply machine learning (ML) techniques in the discovery and evaluation of new molecules, by employing the quantitative structure-activity relationship (QSAR), a classic method that uses regressions to create a model that allows identifying and evaluating new drug candidates. This work combined QSAR with ML and developed a supervised model that modeled a fourth degree polynomial equation capable of identifying new drug candidates derived from the triclosan compound-a classic inhibitor of

Identifiers

PMID39524644
PMCPMC11541538

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Registered trials

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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.