期刊
PLOS ONE
卷 10, 期 3, 页码 -出版社
PUBLIC LIBRARY SCIENCE
DOI: 10.1371/journal.pone.0119575
关键词
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资金
- National Natural Science Foundation of China [21176090]
- Team Project of Natural Science Foundation of Guangdong Province, China [S2011030001366]
- Specialized Research Fund for the Doctoral Program of Higher Education of China [20130172110009]
- Fundamental Research Funds for the Central Universities, China [2013ZP0010, 2013ZZ0059, 2014ZP0020]
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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