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Computational Molecular Design of Drug Delivery Vehicles for Anti-HIV Microbicides

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DOI: 10.1016/b978-0-444-54298-4.50075-1
  • Molecular Design
  • Drug Delivery
  • Hiv Prevention
  • Microbicides
  • Chemistry
  • Computer Science
  • Design


Abstract This project seeks to develop a computational design method for novel polymer gels for anti-HIV microbicide delivery. These polymeric liquids need to be specifically designed to meet a set of physiochemical property requirements. A predictive structureproperty model was created by regressing experimental property data for a set of representative polymeric vehicles with structural descriptors. The model can next be integrated within an optimization formulation to design novel gels for microbicide delivery applications.

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