Statistical analysis and visualization of data of non-fullerene small molecule acceptors from Harvard organic photovoltaic database. Structural similarity analysis with famous non-fullerene small molecule acceptors to search new building blocks

Journal of Photochemistry and Photobiology A: Chemistry(2023)

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摘要
•A cheap and fast method for the designing of acceptors is introduced.•A detailed data visualization analysis is performed to study the trends of dataset.•Finger print based chemical similarity is performed.•New acceptors are designed using unique building units.
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关键词
Data analysis,Data visualization,Similarity,Electronic properties,Density functional theory
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