Feasibility of Activation Energy Prediction of Gas‐Phase Reactions by Machine Learning
Choi, Sunghwan, Kim, Yeonjoon, Kim, Jin Woo, Kim, Zeehyo, Kim, Woo Youn
Published in Chemistry : a European journal (22.08.2018)
Published in Chemistry : a European journal (22.08.2018)
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Journal Article
Graph theory-based reaction pathway searches and DFT calculations for the mechanism studies of free radical-initiated peptide sequencing mass spectrometry (FRIPS MS): a model gas-phase reaction of GGR tri-peptide
Lee, Jae-Ung, Kim, Yeonjoon, Kim, Woo Youn, Oh, Han Bin
Published in Physical chemistry chemical physics : PCCP (07.03.2020)
Published in Physical chemistry chemical physics : PCCP (07.03.2020)
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Single-crystalline Co2Si nanowires directly synthesized on silicon substrate for high-performance micro-supercapacitor
Lee, Jiyoung, Yoo, Chung-Yul, Lee, Yeong A, Park, Sang Hyun, Cho, Younghyun, Jun, Jae Hyun, Kim, Woo Youn, Kim, Bongsoo, Yoon, Hana
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.08.2019)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (15.08.2019)
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Predicting Drug–Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation
Lim, Jaechang, Ryu, Seongok, Park, Kyubyong, Choe, Yo Joong, Ham, Jiyeon, Kim, Woo Youn
Published in Journal of chemical information and modeling (23.09.2019)
Published in Journal of chemical information and modeling (23.09.2019)
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PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions
Moon, Seokhyun, Zhung, Wonho, Yang, Soojung, Lim, Jaechang, Kim, Woo Youn
Published in Chemical science (Cambridge) (30.03.2022)
Published in Chemical science (Cambridge) (30.03.2022)
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Journal Article
Molecular generative model based on conditional variational autoencoder for de novo molecular design
Lim, Jaechang, Ryu, Seongok, Kim, Jin Woo, Kim, Woo Youn
Published in Journal of cheminformatics (11.07.2018)
Published in Journal of cheminformatics (11.07.2018)
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Journal Article
Neural network-based pseudopotential: development of a transferable local pseudopotential
Woo, Jeheon, Kim, Hyeonsu, Kim, Woo Youn
Published in Physical chemistry chemical physics : PCCP (31.08.2022)
Published in Physical chemistry chemical physics : PCCP (31.08.2022)
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Molecular Generative Model Based on an Adversarially Regularized Autoencoder
Hong, Seung Hwan, Ryu, Seongok, Lim, Jaechang, Kim, Woo Youn
Published in Journal of chemical information and modeling (27.01.2020)
Published in Journal of chemical information and modeling (27.01.2020)
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Journal Article
Non-Covalent Self-Assembly and Covalent Polymerization Co-Contribute to Polydopamine Formation
Hong, Seonki, Na, Yun Suk, Choi, Sunghwan, Song, In Taek, Kim, Woo Youn, Lee, Haeshin
Published in Advanced functional materials (21.11.2012)
Published in Advanced functional materials (21.11.2012)
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Journal Article
Scaffold-based molecular design with a graph generative model
Lim, Jaechang, Hwang, Sang-Yeon, Moon, Seokhyun, Kim, Seungsu, Kim, Woo Youn
Published in Chemical science (Cambridge) (2020)
Published in Chemical science (Cambridge) (2020)
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