ArticlePloS one2015
Quantitative structure-property relationship (QSPR) modeling of drug-loaded polymeric micelles via genetic function approximation.
Article in PloS one, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Multi-criteria decision analysis of dendrimer applications in drug delivery systems.The European physical journal. E, Soft matter · 2026Article
- Harnessing confinement effect and interpretable machine learning to predict alkane diffusion in zeolite catalysts.Nature communications · 2026Article
- Machine learning empowered formulation design, optimization and characterization of nanoparticulate drug delivery systems: Current applications, challenges, and future perspectives.Acta pharmaceutica Sinica. B · 2026Review
- Designing Potent α-Glucosidase Inhibitors: A Synthesis and QSAR Modeling Approach for Biscoumarin Derivatives.ACS omega · 2023Article
- Machine learning-assisted crystal engineering of a zeolite.Nature communications · 2023Article
- 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.Molecules (Basel, Switzerland) · 2023Article
- QSAR modelling and molecular docking studies for anti-cancer compounds against melanoma cell line SK-MEL-2.Heliyon · 2020Article
- Polymeric micelles for the delivery of poorly soluble drugs: From nanoformulation to clinical approval.Advanced drug delivery reviews · 2020Review
- Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs.Science advances · 2019Article
- Molecular Docking and QSAR Study of 2-Benzoxazolinone, Quinazoline and Diazocoumarin Derivatives as Anti-HIV-1 Agents.Iranian journal of pharmaceutical research : IJPR · 2019Article
- QSAR modeling and in silico design of small-molecule inhibitors targeting the interaction between E3 ligase VHL and HIF-1α.Molecular diversity · 2017Article
- QSAR Modeling of COX -2 Inhibitory Activity of Some Dihydropyridine and Hydroquinoline Derivatives Using Multiple Linear Regression (MLR) Method.Iranian journal of pharmaceutical research : IJPR · 2017Article
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Authors and funding
7 authors.
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Abstract
Self-assembled nano-micelles of amphiphilic polymers represent a novel anticancer drug delivery system. However, their full clinical utilization remains challenging because the quantitative structure-property relationship (QSPR) between the polymer structure and the efficacy of micelles as a drug carrier is poorly understood. Here, we developed a series of QSPR models to account for the drug loading capacity of polymeric micelles using the genetic function approximation (GFA) algorithm. These models were further evaluated by internal and external validation and a Y-randomization test in terms of stability and generalization, yielding an optimization model that is applicable to an expanded materials regime. As confirmed by experimental data, the relationship between microstructure and drug loading capacity can be well-simulated, suggesting that our models are readily applicable to the quantitative evaluation of the drug-loading capacity of polymeric micelles. Our work may offer a pathway to the design of formulation experiments.
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