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Computational drug repurposing for rare diseases is especially challenging when no prior associations exist between drugs and target diseases. Therefore, knowledge graph completion and message-passing GNNs have little reliable signal to…

人工智能 · 计算机科学 2025-10-17 Lang Qin , Zijian Gan , Xu Cao , Pengcheng Jiang , Yankai Jiang , Jiawei Han , Kaishun Wu , Jintai Chen

Drug repurposing is an emerging approach for drug discovery involving the reassignment of existing drugs for novel purposes. An alternative to the traditional de novo process of drug development, repurposed drugs are faster, cheaper, and…

生物大分子 · 定量生物学 2023-09-26 Srilekha Mamidala

Repurposing existing drugs to treat new diseases is a cost-effective alternative to de novo drug development, but there are millions of potential drug-disease combinations to be considered with only a small fraction being viable. In silico…

定量方法 · 定量生物学 2025-10-24 Austin Polanco , M. E. J. Newman

Natural language is expected to be a key medium for various human-machine interactions in the era of large language models. When it comes to the biochemistry field, a series of tasks around molecules (e.g., property prediction, molecule…

计算与语言 · 计算机科学 2023-06-22 Zheni Zeng , Bangchen Yin , Shipeng Wang , Jiarui Liu , Cheng Yang , Haishen Yao , Xingzhi Sun , Maosong Sun , Guotong Xie , Zhiyuan Liu

Recent advancements in conversational large language models (LLMs), such as ChatGPT, have demonstrated remarkable promise in various domains, including drug discovery. However, existing works mainly focus on investigating the capabilities…

生物大分子 · 定量生物学 2023-05-30 Shengchao Liu , Jiongxiao Wang , Yijin Yang , Chengpeng Wang , Ling Liu , Hongyu Guo , Chaowei Xiao

Substance use disorders (SUDs) affect millions of people, and relapses are common, requiring multi-session treatments. Access to care is limited, which contributes to the challenge of recovery support. We present \textbf{ChatThero}, an…

人工智能 · 计算机科学 2025-10-15 Junda Wang , Zonghai Yao , Lingxi Li , Junhui Qian , Zhichao Yang , Hong Yu

Identifying novel hypotheses is essential to scientific research, yet this process risks being overwhelmed by the sheer volume and complexity of available information. Existing automated methods often struggle to generate novel and…

Rare disease diagnosis is inherently challenging due to heterogeneous symptoms, limited clinical familiarity, and fragmented evidence across specialties. Recent large language model (LLM)-based agentic systems have shown promise by…

人机交互 · 计算机科学 2026-03-31 Peng Kuai , Yukun Yang , Shaolun Ruan , Junchi Xu , Yanjie Zhang , Lin Zhang , Min Zhu , Rui Sheng

Choosing suitable psychometric scales is an essential and difficult step in psychological consultation, which requires clinicians to integrate patient information, behaviors, and dynamic contextual information. Existing systems mainly use…

人机交互 · 计算机科学 2026-05-04 Yanzeng Li , Xiaoning Cao , Jialun Zhong , Jianpeng Hu , Jiangshan Tan , Ningning Liu , Feng Xiang , Shasha Han

Drug repurposing is an effective strategy to identify new uses for existing drugs, providing the quickest possible transition from bench to bedside. Existing methods for drug repurposing that mainly focus on pre-clinical information may…

应用统计 · 统计学 2021-04-14 Ruoqi Liu , Lai Wei , Ping Zhang

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

机器学习 · 计算机科学 2024-05-21 Ali Gharizadeh , Karim Abbasi , Amin Ghareyazi , Mohammad R. K. Mofrad , Hamid R. Rabiee

Diagnosing hepatic diseases accurately and interpretably is critical, yet it remains challenging in real-world clinical settings. Existing AI approaches for clinical diagnosis often lack transparency, structured reasoning, and…

人工智能 · 计算机科学 2026-03-06 Zheng Li , Jiayi Xu , Zhikai Hu , Hechang Chen , Lele Cong , Yunyun Wang , Shuchao Pang

Software development is a complex task that necessitates cooperation among multiple members with diverse skills. Numerous studies used deep learning to improve specific phases in a waterfall model, such as design, coding, and testing.…

The integration of deep learning-based glaucoma detection with large language models (LLMs) presents an automated strategy to mitigate ophthalmologist shortages and improve clinical reporting efficiency. However, applying general LLMs to…

多智能体系统 · 计算机科学 2025-12-18 Philip R. Liu , Sparsh Bansal , Jimmy Dinh , Aditya Pawar , Ramani Satishkumar , Shail Desai , Neeraj Gupta , Xin Wang , Shu Hu

Speech synthesis is crucial for human-computer interaction, enabling natural and intuitive communication. However, existing datasets involve high construction costs due to manual annotation and suffer from limited character diversity,…

计算与语言 · 计算机科学 2025-04-22 Xiang Li , Duyi Pan , Hongru Xiao , Jiale Han , Jing Tang , Jiabao Ma , Wei Wang , Bo Cheng

Rare diseases affect over 300 million individuals worldwide, yet timely and accurate diagnosis remains an urgent challenge. Patients often endure a prolonged diagnostic odyssey exceeding five years, marked by repeated referrals,…

计算与语言 · 计算机科学 2026-02-17 Weike Zhao , Chaoyi Wu , Yanjie Fan , Xiaoman Zhang , Pengcheng Qiu , Yuze Sun , Xiao Zhou , Yanfeng Wang , Xin Sun , Ya Zhang , Yongguo Yu , Kun Sun , Weidi Xie

Incorporating natural language input has the potential to improve the capabilities of biomedical data discovery interfaces. However, user interface elements and visualizations are still powerful tools for interacting with data. In our…

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

Clinical trials constitute a critical yet exceptionally challenging and costly stage of drug development (\$2.6B per drug), where protocols are encoded as complex natural language documents, motivating the use of AI systems beyond manual…

人工智能 · 计算机科学 2026-04-06 Sixue Xing , Kerui Wu , Xuanye Xia , Meng Jiang , Jintai Chen , Tianfan Fu

The integration of Computer-Aided Diagnosis (CAD) with Large Language Models (LLMs) presents a promising frontier in clinical applications, notably in automating diagnostic processes akin to those performed by radiologists and providing…

计算机视觉与模式识别 · 计算机科学 2024-05-22 Zihao Zhao , Sheng Wang , Jinchen Gu , Yitao Zhu , Lanzhuju Mei , Zixu Zhuang , Zhiming Cui , Qian Wang , Dinggang Shen
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