ArticleFrontiers in pharmacology2018
Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of K
Article in Frontiers in pharmacology, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- High-throughput identification of bacterial β-glucuronidase inhibitors using machine learning.Gut microbes · 2026Article
- DynamicDTA: Drug-Target Binding Affinity Prediction Using Dynamic Descriptors and Graph Representation.Interdisciplinary sciences, computational life sciences · 2026Article
- DeepEGFR a graph neural network for bioactivity classification of EGFR inhibitors.Scientific reports · 2025Article
- Employing machine learning for identifying antifungal compounds againstFuture microbiology · 2025Article
- Understanding the HIV-CA protein and the ligands that bind at the N-terminal domain (NTD) - C-terminal domain (CTD) interface.RSC medicinal chemistry · 2025Review
- QSAR Modeling and Biological Testing of Some 15-LOX Inhibitors in a Series of Homo- and Heterocyclic Compounds.Molecules (Basel, Switzerland) · 2024Article
- Evaluating the quality of multiple-choice question pilot database: A global educator-created tool for concept-based pharmacology learning.Pharmacology research & perspectives · 2024Article
- Article
- PBITProtein science : a publication of the Protein Society · 2024Article
- Identification of Potential p38γ Inhibitors via In Silico Screening, In Vitro Bioassay and Molecular Dynamics Simulation Studies.International journal of molecular sciences · 2023Article
- QSPR Modeling and Experimental Determination of the Antioxidant Activity of Some Polycyclic Compounds in the Radical-Chain Oxidation Reaction of Organic Substrates.Molecules (Basel, Switzerland) · 2022Article
- Investigative on the Molecular Mechanism of Licorice Flavonoids Anti-Melanoma by Network Pharmacology, 3D/2D-QSAR, Molecular Docking, and Molecular Dynamics Simulation.Frontiers in chemistry · 2022Article
- QSAR Assessing the Efficiency of Antioxidants in the Termination of Radical-Chain Oxidation Processes of Organic Compounds.Molecules (Basel, Switzerland) · 2021Article
- Computational Models Using Multiple Machine Learning Algorithms for Predicting Drug Hepatotoxicity with the DILIrank Dataset.International journal of molecular sciences · 2020Article
- Use of QSAR Global Models and Molecular Docking for Developing New Inhibitors of c-src Tyrosine Kinase.International journal of molecular sciences · 2019Article
Corrections and comments
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Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Estimation of interaction of drug-like compounds with antitargets is important for the assessment of possible toxic effects during drug development. Publicly available online databases provide data on the experimental results of chemical interactions with antitargets, which can be used for the creation of (Q)SAR models. The structures and experimental K
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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.