6 citations · 7 across the 5 of their papers we have counts for
5 papers
Evaluating the Diversity of AI-Generated Content with Diversity Profiles
Xiuyuan Hu, Xuege Hou, Guoqing Liu +6
Diversity is a fundamental criterion for evaluating generative artificial intelligence (AI) systems, yet its measurement remains inherently ambiguous. Existing approaches typically…
TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design
Xiuyuan Hu, Guoqing Liu, Can Chen +3
Structure-based drug design (SBDD) is a critical task in drug discovery, requiring the generation of molecular information across two distinct modalities: discrete molecular graphs…
3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
Xiuyuan Hu, Guoqing Liu, Can Chen +3
Structure-based drug discovery, encompassing the tasks of protein-ligand docking and pocket-aware 3D drug design, represents a core challenge in drug discovery. However, no existin…
Empirical Evidence for the Fragment level Understanding on Drug Molecular Structure of LLMs
Xiuyuan Hu, Guoqing Liu, Yang Zhao +1
AI for drug discovery has been a research hotspot in recent years, and SMILES-based language models has been increasingly applied in drug molecular design. However, no work has exp…
De novo Drug Design using Reinforcement Learning with Multiple GPT Agents
Xiuyuan Hu, Guoqing Liu, Yang Zhao +1
De novo drug design is a pivotal issue in pharmacology and a new area of focus in AI for science research. A central challenge in this field is to generate molecules with specific…