ArticleCells2018
Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors.
Article in Cells, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
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Who cites it
9 citing papers in PubMed.
- Identification of Natural Flavonoids Targeting PLK-1 as Potential Anti-Metastatic Agents: A Computational Approach.International journal of molecular sciences · 2026Article
- In silico and in vitro investigations of novel Siglec-1 inhibitors in a microglial cell model.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Total Synthesis of Aporphine Alkaloids via Photocatalytic Oxidative Phenol Coupling and Biological Evaluation at the Serotonin 5-HTJournal of medicinal chemistry · 2025Article
- Recent Advances in Machine-Learning-Based Chemoinformatics: A Comprehensive Review.International journal of molecular sciences · 2023Review
- Quantitative Structure-Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective.Pharmaceuticals (Basel, Switzerland) · 2022Review
- Predicting anionic surfactant toxicity to Daphnia magna in aquatic environment: a green approach for evaluation of ECEnvironmental science and pollution research international · 2021Article
- Ranking-Oriented Quantitative Structure-Activity Relationship Modeling Combined with Assay-Wise Data Integration.ACS omega · 2021Article
- A non-conformational QSAR study for plant-derived larvicides against Zika Aedes aegypti L. vector.Environmental science and pollution research international · 2020Article
- QSAR studies of the antioxidant activity of anthocyanins.Journal of food science and technology · 2019Article
Corrections and comments
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Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A structurally diverse dataset of 530 polo-like kinase-1 (PLK1) inhibitors is compiled from the ChEMBL database and studied by means of a conformation-independent quantitative structure-activity relationship (QSAR) approach. A large number (26,761) of molecular descriptors are explored with the main intention of capturing the most relevant structural characteristics affecting the bioactivity. The structural descriptors are derived with different freeware, such as PaDEL, Mold², and QuBiLs-MAS; such descriptor software complements each other and improves the QSAR results. The best multivariable linear regression models are found with the replacement method variable subset selection technique. The balanced subsets method partitions the dataset into training, validation, and test sets. It is found that the proposed linear QSAR model improves previously reported models by leading to a simpler alternative structure-activity relationship.
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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.