5 papers
HALO: Interactive Co-abductive Reasoning in Scientific Hypothesis Generation
Youngseung Jeon, Kat Limqueco, JiaSyuan Chang +1
Scientific discovery is essential yet inefficient, primarily because generating hypotheses within a vast search space hinders breakthroughs. While current AI systems assist in gene…
RAGPPI: RAG Benchmark for Protein-Protein Interactions in Drug Discovery
Youngseung Jeon, Ziwen Li, Thomas Li +3
Retrieving the biological impacts of protein-protein interactions (PPIs) is essential for target identification (Target ID) in drug development. Given the vast number of proteins i…
C-MORAL: Controllable Multi-Objective Molecular Optimization with Reinforcement Alignment for LLMs
Rui Gao, Youngseung Jeon, Swastik Roy +2
Large language models (LLMs) show promise for molecular optimization, but aligning them with selective and competing drug-design constraints remains challenging. We propose C-Moral…
Supporting Medicinal Chemists in Iterative Hypothesis Generation for Drug Target Identification
Youngseung Jeon, Christopher Hwang, Ziwen Li +6
While drug discovery is vital for human health, the process remains inefficient. Medicinal chemists must navigate a vast protein space to identify target proteins that meet three c…
GraPPI: A Retrieve-Divide-Solve GraphRAG Framework for Large-scale Protein-protein Interaction Exploration
Ziwen Li, Xiang 'Anthony' Chen, Youngseung Jeon
Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, research…