Rational Design of a Low-Data Regime of Pyrrole Antioxidants for Radical Scavenging Activities Using Quantum Chemical Descriptors and QSAR with the GA-MLR and ANN Concepts.

Wanting Xie, Sopon Wiriyarattanakul, Thanyada Rungrotmongkol, Liyi Shi, Amphawan Wiriyarattanakul, Phornphimon Maitarad

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it

0cells of the map it votes in

3citing 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

3 citing papers in PubMed.

Machine Learning-Driven QSAR Modeling for pKInternational journal of molecular sciences · 2026
Article
QSAR machine learning-guided discovery of renieramycin right-half derivatives with cytotoxic activity against NSCLC cells.Scientific reports · 2025
Article
Special Issue: "Rational Design and Synthesis of Bioactive Molecules".International journal of molecular sciences · 2024
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

6 authors.

Wanting XieResearch Center of Nano Science and Technology, College of Sciences, Shanghai University, Shanghai 200444, China.ORCID 0000-0003-3601-129X

Sopon WiriyarattanakulProgram in Computer Science, Faculty of Science and Technology, Uttaradit Rajabhat University, Uttaradit 53000, Thailand.ORCID 0000-0002-1138-5888

Thanyada RungrotmongkolCenter of Excellence in Structural and Computational Biology, Department of Biochemistry, Chulalongkorn University, Bangkok 10330, Thailand.

Liyi ShiResearch Center of Nano Science and Technology, College of Sciences, Shanghai University, Shanghai 200444, China.

Amphawan WiriyarattanakulProgram in Chemistry, Faculty of Science and Technology, Uttaradit Rajabhat University, Uttaradit 53000, Thailand.ORCID 0000-0001-8094-5351

Phornphimon MaitaradResearch Center of Nano Science and Technology, College of Sciences, Shanghai University, Shanghai 200444, China.ORCID 0000-0003-0035-0070

Funding

Emerging Industries Research Institute, Shanghai University (Jiaxing, Zhejiang) 20H01612Thailand Research Fund RSA6280085

6 · The paper itself

Abstract

A series of pyrrole derivatives and their antioxidant scavenging activities toward the superoxide anion (O

Indexed as

AntioxidantsQuantitative Structure-Activity RelationshipAlgorithmsLinear ModelsNeural Networks, ComputerAntioxidantsantioxidantspyrroleQSAR-ANNQSAR-GA-MLRradical scavenging activities

Identifiers

PMID36838583

DOI10.3390/molecules28041596

PMCPMC9959680

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.