ArticleBMC chemistry2022
Comparison of various methods for validity evaluation of QSAR models.
Article in BMC chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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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.
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Who cites it
6 citing papers in PubMed.
- Machine learning-driven identification of PIM2 kinase inhibitors through QSAR modeling and molecular dynamics simulations.Journal, genetic engineering & biotechnology · 2026Article
- Quantitative Structure-Activity Relationship Approaches for Exploring the Anticancer Potential of Flavonoids.Chemistry & biodiversity · 2026Review
- Computational study on QSAR modeling, molecular docking, and ADMET profiling of pyrazole-modified catalpol derivatives as prospective dual inhibitors of VEGFR-2/BRAF V600E.Journal of computer-aided molecular design · 2025Article
- The development and impact of an app for a smart drug interaction reminder system.Technology and health care : official journal of the European Society for Engineering and Medicine · 2024Article
- Multi-target Phenylpropanoids Against Epilepsy.Current neuropharmacology · 2024Review
- Recent Advances in Machine-Learning-Based Chemoinformatics: A Comprehensive Review.International journal of molecular sciences · 2023Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
Abstract
backgroundQuantitative structure-activity relationship (QSAR) modeling is one of the most important computational tools employed in drug discovery and development. The external validation of QSAR models is the main point to check the reliability of developed models for the prediction activity of not yet synthesized compounds. It was performed by different criteria in the literature.
methodsIn this study, 44 reported QSAR models for biologically active compounds reported in scientific papers were collected. Various statistical parameters of external validation of a QSAR model were calculated, and the results were discussed.
resultsThe findings revealed that employing the coefficient of determination (r
conclusionThis study showed that these methods alone are not only enough to indicate the validity/invalidity of a QSAR model.
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Registered trials
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.