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2020 – today
- 2024
[j5]Hyeongwoo Kim
, Kyunghoon Lee, Chansu Kim, Jaechang Lim, Woo Youn Kim:
DFRscore: Deep Learning-Based Scoring of Synthetic Complexity with Drug-Focused Retrosynthetic Analysis for High-Throughput Virtual Screening. J. Chem. Inf. Model. 64(7): 2432-2444 (2024)- 2023
- [i9]Seokhyun Moon, Sang-Yeon Hwang, Jaechang Lim, Woo Youn Kim:
PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening. CoRR abs/2307.01066 (2023) - [i8]Sehan Lee, Jaechang Lim, Woo Youn Kim:
C3Net: interatomic potential neural network for prediction of physicochemical properties in heterogenous systems. CoRR abs/2309.15334 (2023) - 2021
- [i7]Seonghwan Seo, Jaechang Lim, Woo Youn Kim:
Fragment-based molecular generative model with high generalization ability and synthetic accessibility. CoRR abs/2111.12907 (2021) - 2020
- [j4]Seung Hwan Hong, Seongok Ryu, Jaechang Lim, Woo Youn Kim:
Molecular Generative Model Based on an Adversarially Regularized Autoencoder. J. Chem. Inf. Model. 60(1): 29-36 (2020) - [i6]Seokhyun Moon, Wonho Zhung, Soojung Yang, Jaechang Lim, Woo Youn Kim:
PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions. CoRR abs/2008.12249 (2020)
2010 – 2019
- 2019
- [j3]Jaechang Lim, Seongok Ryu, Kyubyong Park, Yo Joong Choe, Jiyeon Ham, Woo Youn Kim:
Predicting Drug-Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation. J. Chem. Inf. Model. 59(9): 3981-3988 (2019) - [i5]Jaechang Lim, Seongok Ryu, Kyubyong Park, Yo Joong Choe, Jiyeon Ham, Woo Youn Kim:
Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks. CoRR abs/1904.08144 (2019) - [i4]Jaechang Lim, Sang-Yeon Hwang, Seungsu Kim, Seokhyun Moon, Woo Youn Kim:
Scaffold-based molecular design using graph generative model. CoRR abs/1905.13639 (2019) - [i3]Seung Hwan Hong, Jaechang Lim, Seongok Ryu, Woo Youn Kim:
Molecular Generative Model Based On Adversarially Regularized Autoencoder. CoRR abs/1912.05617 (2019) - 2018
- [j2]Jaewook Kim, Sungwoo Kang, Jaechang Lim, Sang-Yeon Hwang, Woo Youn Kim:
Kohn-Sham approach for fast hybrid density functional calculations in real-space numerical grid methods. Comput. Phys. Commun. 230: 21-26 (2018) - [j1]Jaechang Lim, Seongok Ryu, Jin Woo Kim, Woo Youn Kim:
Molecular generative model based on conditional variational autoencoder for de novo molecular design. J. Cheminformatics 10(1): 31:1-31:9 (2018) - [i2]Seongok Ryu, Jaechang Lim, Woo Youn Kim:
Deeply learning molecular structure-property relationships using graph attention neural network. CoRR abs/1805.10988 (2018) - [i1]Jaechang Lim, Seongok Ryu, Jin Woo Kim, Woo Youn Kim:
Molecular generative model based on conditional variational autoencoder for de novo molecular design. CoRR abs/1806.05805 (2018)
Coauthor Index
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