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Munsun Jo

dblp:421/0474 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Artificial intelligence
1 paper
Generative modeling · 80% Language models and text generation · 20%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 7 heaviest of 7, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Generative modeling › generative model › continuous-time generative model
bayesian flow network
0.912025
Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization · ICML 2025
Machine learning › Generative modeling
diffusion model
0.912025
Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization · ICML 2025
Natural language and speech › Language models and text generation › preference optimization
direct preference optimization
0.912025
Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization · ICML 2025
Machine learning › Generative modeling
molecular generation
0.912025
Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization · ICML 2025
Machine learning › Generative modeling › molecular generation › molecular design
structure-based drug design
0.912025
Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization · ICML 2025
Bioinformatics and computational biology
drug discovery
0.312025
Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization · ICML 2025
Bioinformatics and computational biology › drug discovery › drug design
ligand design
0.312025
Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization · ICML 2025

Methods — techniques the papers use, named apart from their topics

reward normalization · 1.7multi-reward optimization · 1.7direct preference optimization · 1.7
YearPublicationVenuePosition
2025 Enhancing Ligand Validity and Affinity in Structure-Based Drug Design with Multi-Reward Optimization
abstract
Deep learning-based Structure-based drug design aims to generate ligand molecules with desirable properties for protein targets. While existing models have demonstrated competitive performance in generating ligand molecules, they primarily focus on learning the chemical distribution of training datasets, often lacking effective steerability to ensure the desired chemical quality of generated molecules. To address this issue, we propose a multi-reward optimization framework that fine-tunes generative models for attributes, such as binding affinity, validity, and drug-likeness, together. Specifically, we derive direct preference optimization for a Bayesian flow network, used as a backbone for molecule generation, and integrate a reward normalization scheme to adopt multiple objectives. Experimental results show that our method generates more realistic ligands than baseline models while achieving higher binding affinity, expanding the Pareto front empirically observed in previous studies.
Seungbeom Lee, Munsun Jo, Jungseul Ok, Dongwoo Kim 0002
ICML2