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
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11,508,463
Nov 22, 2022

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Jun 29, 2017
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