Algorithm for Determining Molecular Properties in Fluids

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2017-KUBI-67787
Researchers at Purdue University have developed an algorithm that adapts NEGF to molecular chemistry. This modeling technique would be valuable to general chemistry companies and pharmaceutical companies. In particular, pharmaceutical R&D would benefit from this technology, since it allows for predicting the influence of formulation, temperature, shelf life, etc., on the drug molecules. It can thereby avoid unrealistic predictions and save resources otherwise wasted with futile experiments.

Advantages:
-Predicting molecular properties
-More reliable than existing tools
-Easy to run

Potential Applications:
-Chemistry companies
-Pharmaceutical companies
Dec 19, 2019
NATL-Patent
United States
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Jun 29, 2018
PCT-Patent
WO
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Jun 29, 2017
Provisional-Patent
United States
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Jun 29, 2017
Copyright
United States
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