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Deep4Chem: AI Optical Spectrometer (AIOS)
Accurate and reliable prediction of various optical properties of organic compounds is very important for developing new organic compounds with desired properties. Here, we have developed an artificial intelligence (AI) optical spectrometer, Deep4Chem, using deep learning methods and experimental database of optical properties of organic compounds in various solvents, host films, and solid states.
Deep4Chem Citation
"Hierarchical Graph Attention Network with Positive and Negative Attentions for Improved Interpretability: ISA-PN"
Jinyoung Park, Minhi Han, Kiwoong Lee, Sungnam Park*
J. Chem. Inf. Model. 65, 1115 (2025) (Link) (Journal Cover)
"Generative Deep Learning-Based Efficient Design of Organic Molecules with Tailored Properties"
Minhi Han†, Joonyoung F. Joung†, Minseok Jeong, Dong Hoon Choi, Sungnam Park*
ACS Cent. Sci., 11, 219 (2025) (Link) (Journal Cover)
"Deep learning for development of organic optoelectronic devices: efficient prescreening of hosts
and emitters in deep-blue fluorescent OLEDs"
Minseok Jeong†, Joonyoung F. Joung†, Minhi Han†, Chang Woo Koh, Dong Hoon Choi*, and Sungnam Park*
npj Comput. Mater. 8, 147 (2022) († equally contributed.) (Link)
"Beyond Woodward–Fieser Rules: Design Principles of Property-Oriented Chromophores Based on
Explainable Deep Learning Optical Spectroscopy"
Joonyoung F. Joung†, Minhi Han†, Minseok Jeong, and Sungnam Park*
J. Chem. Inf. Model. 62, 12, 2933-2942 (2022) († equally contributed.) (Link) (Journal Cover)
"Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design"
Joonyoung F. Joung†, Minhi Han†, Jinhyo Hwang, Minseok Jeong, Dong Hoon Choi, and Sungnam Park*
JACS Au, 1, 4, 427–438 (2021) († equally contributed.) (Link) (Journal Cover)
"Experimental database of optical properties of organic compounds"
Joonyoung F. Joung†, Minhi Han†, Minseok Jeong, and Sungnam Park*
Sci. Data, 7, 295 (2020) († equally contributed.) (Link)
