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Publications

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2024

Generative Flows on Synthetic Pathway for Drug Design

Seonghwan Seo, Minsu Kim, Tony Shen, Martin Ester, Jinkyoo Park, Sungsoo Ahn, Woo Youn Kim
NeurIPS Workshop on AI for New Drug Modalities 2024
[arXiv] [GitHub]

PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening

Seonghwan Seo, Woo Youn Kim
Chemical Science
NeurIPS Workshop on New Frontiers of AI for Drug Discovery and Development 2023
[Paper] [arXiv] [GitHub] [OpenPharmaco]

TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Discovery

Tony Shen, Seonghwan Seo, Grayson Lee, Mohit Pandey, Jason R Smith, Artem Cherkasov, Woo Youn Kim, Martin Ester
Transactions on Machine Learning Research (TMLR)
[arXiv] [OpenReview] [GitHub]
2023

Molecular generative model via retrosynthetically prepared chemical building block assembly

Seonghwan Seo, Jaechang Lim, Woo Youn Kim
Advanced Science
[Paper] [GitHub] [Journal Cover]
2022

Drug-likeness scoring based on unsupervised learning

Kyunghoon Lee*, Jinho Jang*, Seonghwan Seo*, Jaechang Lim, Woo Youn Kim
Chemical Science
[Paper] [GitHub]