Research identifies easier way to predict how chemical compounds will interact

April 25, 2018, University of Kent

New research has revealed that simple, commercially available computer programmes could be used to design next generation drug-delivery systems by predicting more easily how different chemical compounds interact.

Led by Dr Jennifer Hiscock of the University of Kent, a team of researchers has identified a new more cost-effective way of predicting how known as amphiphiles will interact with each other to impart specific physical properties to a solution.

The study, entitled Towards the prediction of global solution state properties for hydrogen bonded, self-associating amphiphiles, has revealed for the first time the potential for simple, easily accessible new methods of predicting on a how the compounds will behave.

The research involved the team using computer modelling to exhibit desired, pre-programmed properties before the chemical compounds even exist in real life.

The research is likely speed up the development - and decrease costs - associated with developing new methods of delivering drugs and medical-grade soaps and gels.

Explore further: Physicists' algorithm predicts the optical properties of molecules

More information: Lisa White et al, Towards the prediction of global solution state properties for hydrogen bonded, self-associating amphiphiles, Chemistry - A European Journal (2018). DOI: 10.1002/chem.201801280

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