most citedStructure-based Drug Design Benchmark: Do 3D Methods Really Dominate?

5 citations · 10 across the 5 of their papers we have counts for

collaborators

5 papers

cs.CL20251 cited

A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontiers

Ming Hu, Chenglong Ma, Wei Li +117

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the compl…

cs.LG20241 cited

TrialEnroll: Predicting Clinical Trial Enrollment Success with Deep & Cross Network and Large Language Models

Ling Yue, Sixue Xing, Jintai Chen +1

Clinical trials need to recruit a sufficient number of volunteer patients to demonstrate the statistical power of the treatment (e.g., a new drug) in curing a certain disease. Clin…

cs.LG20245 cited

Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?

Kangyu Zheng, Yingzhou Lu, Zaixi Zhang +4

Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. Whi…

cs.LG2024

Graph Adversarial Diffusion Convolution

Songtao Liu, Jinghui Chen, Tianfan Fu +3

This paper introduces a min-max optimization formulation for the Graph Signal Denoising (GSD) problem. In this formulation, we first maximize the second term of GSD by introducing…

cs.LG20243 cited

AUTODIFF: Autoregressive Diffusion Modeling for Structure-based Drug Design

Xinze Li, Penglei Wang, Tianfan Fu +4

Structure-based drug design (SBDD), which aims to generate molecules that can bind tightly to the target protein, is an essential problem in drug discovery, and previous approaches…