Trial reportMolecular informatics2021
QSAR Modeling of SARS-CoV M
Abstract readRandomized Controlled Trial
In one paragraph
Trial report in Molecular informatics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 39 papers.
0numbers the graph read from it
0cells of the map it votes in
39citing papers in PubMed
–field-weighted citation impact
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.
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.
Who cites it
39 citing papers in PubMed.
- AI-driven drug-target interaction prediction: current progress, challenges, and future roadmap for precision medicine.Journal of computer-aided molecular design · 2026Review
- Machine Learning- and AI-Driven QSAR Models for the Discovery of Novel Potential Fungicides: FAPI (Fungicide Targeting Acid Phosphatase Inhibition).Journal of agricultural and food chemistry · 2026Article
- KRASAVA-An Expert System for Virtual Screening of KRAS G12D Inhibitors.International journal of molecular sciences · 2025Article
- Chemical arsenal for helicase Hunters: Striking the toughest targets in antiviral research.Antiviral research · 2025Article
- Antagonistic Trends Between Binding Affinity and Drug-Likeness in SARS-CoV-2 Mpro Inhibitors Revealed by Machine Learning.Viruses · 2025Article
- Meeting report of the 37th International Conference on Antiviral Research in Gold Coast, Australia, May 20-24, 2024, organized by the International Society for Antiviral Research.Antiviral research · 2024Article
- QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool.Journal of cheminformatics · 2024Article
- Modeling interactions between Heparan sulfate and proteins based on the Heparan sulfate microarray analysis.Glycobiology · 2024Article
- Consensus Pharmacophore Strategy For Identifying Novel SARS-Cov-2 MJournal of chemical information and modeling · 2024Article
- Identification of SARS-CoV-2 Main Protease Inhibitors Using Chemical Similarity Analysis Combined with Machine Learning.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Small molecule antiviral compound collection (SMACC): A comprehensive, highly curated database to support the discovery of broad-spectrum antiviral drug molecules.Antiviral research · 2023Article
- In Silico Identification of Potential Inhibitors of the SARS-CoV-2 Main Protease among a PubChem Database of Avian Infectious Bronchitis Virus 3CLPro Inhibitors.Biomolecules · 2023Article
- Review
- Multimodal representation learning for predicting molecule-disease relations.Bioinformatics (Oxford, England) · 2023Article
- Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro.Frontiers in pharmacology · 2023Article
- A review on computer-aided chemogenomics and drug repositioning for rational COVID-19 drug discovery.Chemical biology & drug design · 2022Review
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Small Molecule Antiviral Compound Collection (SMACC): a database to support the discovery of broad-spectrum antiviral drug molecules.bioRxiv : the preprint server for biology · 2022Article
- Haste makes waste: A critical review of docking-based virtual screening in drug repurposing for SARS-CoV-2 main protease (M-pro) inhibition.Medicinal research reviews · 2022Review
- Computationally prioritized drugs inhibit SARS-CoV-2 infection and syncytia formation.Briefings in bioinformatics · 2022Article
Corrections and comments
- Update of
Authors and funding
8 authors.
Vinicius M AlvesOffice of Data Science, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA.
Tesia BobrowskiLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.
Cleber C Melo-FilhoLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.
Daniel KornLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.
Scott AuerbachToxinformatics Group, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA.
Charles SchmittOffice of Data Science, National Toxicology Program, NIEHS, Morrisville, NC, 27560, USA.
Eugene N MuratovLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.ORCID 0000-0003-4616-7036
Alexander TropshaLaboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Beard Hall, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.
Funding
Development of Data Science MethodsZIAES103364 · NIEHS · NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES · PI SCHMITT, CHARLES · 2021 to 2025
$1.6MNIH HHS 1R01 GM114015NIH HHS 1U01CA207160
Abstract
The main protease (M
Indexed as
Antiviral AgentsCoronavirus 3C ProteasesCOVID-19COVID-19 Drug TreatmentDrug RepositioningMolecular Docking SimulationProtease InhibitorsCatalytic DomainHumansImidazolesIndoleacetic AcidsQuantitative Structure-Activity RelationshipSARS-CoV-2SulfoxidesAntiviral AgentscenicrivirocCoronavirus 3C ProteasesImidazolesIndoleacetic AcidsproglumetacinProtease InhibitorsSulfoxidescheminformaticsdrug repurposingSARS-CoV-2SARS-CoV-2 Mpro.virtual screening
Identifiers
PMID
33405340What OpenQuestion holds
Textmetadata
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.