Evolutionary design of molecules based on deep learning and a genetic algorithm
Kwon, Youngchun, Kang, Seokho, Choi, Youn-Suk, Kim, Inkoo
Published in Scientific reports (27.08.2021)
Published in Scientific reports (27.08.2021)
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Journal Article
Molecular search by NMR spectrum based on evaluation of matching between spectrum and molecule
Kwon, Youngchun, Lee, Dongseon, Choi, Youn-Suk, Kang, Seokho
Published in Scientific reports (25.10.2021)
Published in Scientific reports (25.10.2021)
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Journal Article
Uncertainty-aware prediction of chemical reaction yields with graph neural networks
Kwon, Youngchun, Lee, Dongseon, Choi, Youn-Suk, Kang, Seokho
Published in Journal of cheminformatics (10.01.2022)
Published in Journal of cheminformatics (10.01.2022)
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Journal Article
Exceptional Lithium Storage in a Co(OH)2 Anode: Hydride Formation
Kim, Hyunchul, Choi, Woon Ih, Jang, Yoonjung, Balasubramanian, Mahalingam, Lee, Wontae, Park, Gwi Ok, Park, Su Bin, Yoo, Jaeseung, Hong, Jin Seok, Choi, Youn-Suk, Lee, Hyo Sug, Bae, In Tae, Kim, Ji Man, Yoon, Won-Sub
Published in ACS nano (27.03.2018)
Published in ACS nano (27.03.2018)
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Journal Article
Data undersampling models for the efficient rule-based retrosynthetic planning
Park, Min Sik, Lee, Dongseon, Kwon, Youngchun, Kim, Eunji, Choi, Youn-Suk
Published in Physical chemistry chemical physics : PCCP (01.12.2021)
Published in Physical chemistry chemical physics : PCCP (01.12.2021)
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Journal Article
Improving chemical reaction yield prediction using pre-trained graph neural networks
Han, Jongmin, Kwon, Youngchun, Choi, Youn-Suk, Kang, Seokho
Published in Journal of cheminformatics (01.03.2024)
Published in Journal of cheminformatics (01.03.2024)
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Journal Article
Compressed graph representation for scalable molecular graph generation
Kwon, Youngchun, Lee, Dongseon, Choi, Youn-Suk, Shin, Kyoham, Kang, Seokho
Published in Journal of cheminformatics (23.09.2020)
Published in Journal of cheminformatics (23.09.2020)
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Journal Article
Deep-learning-based inverse design model for intelligent discovery of organic molecules
Kim, Kyungdoc, Kang, Seokho, Yoo, Jiho, Kwon, Youngchun, Nam, Youngmin, Lee, Dongseon, Kim, Inkoo, Choi, Youn-Suk, Jung, Yongsik, Kim, Sangmo, Son, Won-Joon, Son, Jhunmo, Lee, Hyo Sug, Kim, Sunghan, Shin, Jaikwang, Hwang, Sungwoo
Published in npj computational materials (03.12.2018)
Published in npj computational materials (03.12.2018)
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Journal Article
The prediction of hole mobility in organic semiconductors and its calibration based on the grain-boundary effect
Park, Jin Woo, Lee, Kyu Il, Choi, Youn-Suk, Kim, Jung-Hwa, Jeong, Daun, Kwon, Young-Nam, Park, Jong-Bong, Ahn, Ho Young, Park, Jeong-Il, Lee, Hyo Sug, Shin, Jaikwang
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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Journal Article
Neural Message Passing for NMR Chemical Shift Prediction
Kwon, Youngchun, Lee, Dongseon, Choi, Youn-Suk, Kang, Myeonginn, Kang, Seokho
Published in Journal of chemical information and modeling (27.04.2020)
Published in Journal of chemical information and modeling (27.04.2020)
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Journal Article
Scalable graph neural network for NMR chemical shift prediction
Han, Jongmin, Kang, Hyungu, Kang, Seokho, Kwon, Youngchun, Lee, Dongseon, Choi, Youn-Suk
Published in Physical chemistry chemical physics : PCCP (09.11.2022)
Published in Physical chemistry chemical physics : PCCP (09.11.2022)
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Journal Article
Generative Modeling to Predict Multiple Suitable Conditions for Chemical Reactions
Kwon, Youngchun, Kim, Sun, Choi, Youn-Suk, Kang, Seokho
Published in Journal of chemical information and modeling (12.12.2022)
Published in Journal of chemical information and modeling (12.12.2022)
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Journal Article
Predictive Modeling of NMR Chemical Shifts without Using Atomic-Level Annotations
Kang, Seokho, Kwon, Youngchun, Lee, Dongseon, Choi, Youn-Suk
Published in Journal of chemical information and modeling (24.08.2020)
Published in Journal of chemical information and modeling (24.08.2020)
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Journal Article
Retention Time Prediction through Learning from a Small Training Data Set with a Pretrained Graph Neural Network
Kwon, Youngchun, Kwon, Hyukju, Han, Jongmin, Kang, Myeonginn, Kim, Ji-Yeong, Shin, Dongyeeb, Choi, Youn-Suk, Kang, Seokho
Published in Analytical chemistry (Washington) (28.11.2023)
Published in Analytical chemistry (Washington) (28.11.2023)
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Journal Article
An integrated ion-selective optode sensor cartridge for directly detecting electrolyte ions in blood plasma without pretreatment to adjust pH
Lee, Joonhyung, Hahn, Young Ki, Park, Jin-Young, Seo, Hyejung, Jung, Jaeyeon, Cho, Euyhyun, Choi, Youn-Suk, Lee, Soo Suk
Published in Sensors and actuators. B, Chemical (01.02.2019)
Published in Sensors and actuators. B, Chemical (01.02.2019)
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Journal Article
Silver electroceutical technology to treat sarcopenia
Kim, Min Young, Shin, Hyun Young, Cho, Sung Chun, Yang, Sohae, Intisar, Aseer, Woo, Hyeong Jung, Choi, Youn-Suk, You, Chang-Lim, Kang, Jong-Sun, Lee, Yun-Il, Park, Sang Chul, Yea, Kyungmoo, Oh, Tae Gyu, Downes, Michael, Evans, Ronald M, Kim, Minseok S
Published in Proceedings of the National Academy of Sciences - PNAS (15.08.2023)
Published in Proceedings of the National Academy of Sciences - PNAS (15.08.2023)
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Journal Article
Exploring Optimal Reaction Conditions Guided by Graph Neural Networks and Bayesian Optimization
Kwon, Youngchun, Lee, Dongseon, Kim, Jin Woo, Choi, Youn-Suk, Kim, Sun
Published in ACS omega (13.12.2022)
Published in ACS omega (13.12.2022)
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Journal Article
Predicting Phosphorescence Quantum Yield for Pt(II)-Based OLED Emitters from Correlation Function Approach
Kim, Inkoo, Son, Won-Joon, Choi, Youn-Suk, Osipov, Alexey, Lee, Dongseon, Lee, Hasup, Jung, Yongsik, Son, Jhunmo, Choi, Hyeonho, Sotoyama, Wataru, Yakubovich, Alexander, Shin, Jaikwang, Lee, Hyo Sug
Published in Journal of physical chemistry. C (02.05.2019)
Published in Journal of physical chemistry. C (02.05.2019)
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Journal Article