科研之友
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摘要
Electroluminescent compounds are extensively used as dopant materials for application in OLEDs. In order to understand the chemical features related to the electroluminescence of such dopants, we developed a Neural Networks model for the prediction of the electroluminescence properties of organic compounds used for OLED development. The model predicts the electroluminescence with reasonable accuracy (R = 0.90514). We observe that descriptors related to chemical bonding and electronic structure are highly correlated with electroluminescence properties. The results show that Neural Networks are able to produce accurate predictions, which can be used to develop new materials suitable for use in the OLED development and production.
- 出版日期2013-7
