Theoretical and Computational Chemistry

Quantitative Criterion for AIEgens

Authors

Abstract

We defined two novel descriptors to demonstrate the flexibility
of both chemical and electronic structures of organic
fluorescence compounds upon excitation. Classification
algorithms were introduced to predict the aggregationinduced
emission behavior from the chemical structures
based on the new descriptors. A dataset was built to train
the classifier, which is optimized to 87.3% accuracy finally.

Content

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