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Showing results 1 to 10 of 10

1
Automated Prediction of Chemical Reaction Paths Through Graph-Theoretic Approach

Kim, Yeonjoon; Kim, Jin Woo; Lee, Kyunghoon; Kim, Woo Youn, The 23rd International Annual Symposium on Computational Science and Engineering, pp.34, Chiang Mai University, 2019-06-27

2
Critical role of electrons in the short lifetime of blue OLEDs

Kim, Jaewook; Kim, Joonghyuk; Kim, Yongjun; Son, Youngmok; Shin, Youngsik; Bae, Hye Jin; Kim, Ji Whan; et al, NATURE COMMUNICATIONS, v.14, no.1, 2023-11

3
Development of an efficient reaction path exploration method via automated transition state search and machine learning = 자동화된 전이 상태 탐색 및 머신러닝을 통한 효율적인 반응 경로 탐색 방법 개발link

Lee, Kyunghoon; 이경훈; et al, 한국과학기술원, 2024

4
DFRscore: Deep Learning-Based Scoring of Synthetic Complexity with Drug-Focused Retrosynthetic Analysis for High-Throughput Virtual Screening

Kim, Hyeongwoo; Lee, Kyunghoon; Kim, Chansu; Lim, Jaechang; Kim, Woo Youn, JOURNAL OF CHEMICAL INFORMATION AND MODELING, v.64, no.7, pp.2432 - 2444, 2023-08

5
Drug-likeness scoring based on unsupervised learning

Lee, Kyunghoon; Jang, Jinho; Seo, Seonghwan; Lim, Jaechang; Kim, Woo Youn, CHEMICAL SCIENCE, v.13, no.2, pp.554 - 565, 2022-01

6
Efficient Construction of a Chemical Reaction Network Guided By a Monte Carlo Tree Search

Lee, Kyunghoon; Kim, Jin Woo; Kim, Woo Youn, ChemSystemsChem, v.2, no.5, pp.e1900057, 2020-09

7
Efficient construction of chemical reaction network through Monte Carlo Tree Search

Lee, Kyunghoon; Kim, Jin Woo; Kim, Woo Youn, The 5 th International Conference on Molecular Simulation, The Korean Institute of Metals and Materials, The Korea Institute of Science and Technology, Korea Advanced Institute of Science and Technology - ACE Team, Seoul National University, 2019-11-04

8
Efficient Reaction Prediction Method (ACE-Reaction) with Fully Automated Network Construction and its Performance on Named-Organic Reactions

Kim, Jin Woo; Lee, Kyunghoon; Kim, Woo Youn, The 5 th International Conference on Molecular Simulation, The Korean Institute of Metals and Materials, The Korea Institute of Science and Technology, Korea Advanced Institute of Science and Technology - ACE Team, Seoul National University, 2019-11-04

9
Performance of ACE-Reaction on 26 Organic Reactions for Fully Automated Reaction Network Construction and Microkinetic Analysis

Kim, Jin Woo; Kim, Yeonjoon; Baek, Kyung Yup; Lee, Kyunghoon; Kim, Woo Youn, JOURNAL OF PHYSICAL CHEMISTRY A, v.123, no.22, pp.4796 - 4805, 2019-06

10
pyMCD: Python package for searching transition states via the multicoordinate driven method

Lee, Kyunghoon; Kim, Jun Hyeong; Kim, Woo Youn, COMPUTER PHYSICS COMMUNICATIONS, v.291, 2023-10

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