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Medication recommendation is an essential task of AI for healthcare. Existing works focused on recommending drug combinations for patients with complex health conditions solely based on their electronic health records. Thus, they have the…

机器学习 · 计算机科学 2022-07-20 Chaoqi Yang , Cao Xiao , Fenglong Ma , Lucas Glass , Jimeng Sun

This research paper outlines the development and implementation of a novel Clinical Decision Support System (CDSS) that integrates AI predictive modeling with medical knowledge bases. It utilizes the quantifiable information elements in lab…

Food logging, both self-directed and prescribed, plays a critical role in uncovering correlations between diet, medical, fitness, and health outcomes. Through conversations with nutritional experts and individuals who practice dietary…

The ongoing opioid crisis highlights the urgent need for novel therapeutic strategies that can be rapidly deployed. This study presents a novel approach to identify potential repurposable drugs for the treatment of opioid addiction, aiming…

分子网络 · 定量生物学 2025-09-25 Chunhuan Zhang , Sean Cottrell , Benjamin Jones , Yueying Zhu , Huahai Qiu , Bengong Zhang , Tianshou Zhou , Jian Jiang

Preventable adverse events as a result of medical errors present a growing concern in the healthcare system. As drug-drug interactions (DDIs) may lead to preventable adverse events, being able to extract DDIs from drug labels into a…

计算与语言 · 计算机科学 2019-11-06 Tung Tran , Ramakanth Kavuluru , Halil Kilicoglu

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

生物大分子 · 定量生物学 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Stepping from sentence-level to document-level, the research on relation extraction (RE) confronts increasing text length and more complicated entity interactions. Consequently, it is more challenging to encode the key information…

计算与语言 · 计算机科学 2022-05-03 Yuxin Xiao , Zecheng Zhang , Yuning Mao , Carl Yang , Jiawei Han

Background: Identifying new indications for approved drugs is a complex and time-consuming process that requires extensive knowledge of pharmacology, clinical data, and advanced computational methods. Recently, deep learning (DL) methods…

机器学习 · 计算机科学 2025-11-13 Shuting Jin , Yi Jiang , Yimin Liu , Tengfei Ma , Dongsheng Cao , Leyi Wei , Xiangrong Liu , Xiangxiang Zeng

Drug-Drug Interactions (DDIs) may hamper the functionalities of drugs, and in the worst scenario, they may lead to adverse drug reactions (ADRs). Predicting all DDIs is a challenging and critical problem. Most existing computational models…

定量方法 · 定量生物学 2023-04-19 Khaled Mohammed Saifuddin , Briana Bumgardner , Farhan Tanvir , Esra Akbas

Polyphenols and proteins are essential biomolecules that influence food functionality and, by extension, human health. Their interactions -- hereafter referred to as PhPIs (polyphenol-protein interactions) -- affect key processes such as…

生物大分子 · 定量生物学 2025-08-06 Qiang Liu , Tiantian Wang , Binbin Nian , Feiyang Ma , Siqi Zhao , Andrés F. Vásquez , Liping Guo , Chao Ding , Mehdi D. Davari

Human-AI interaction researchers face an overwhelming challenge: synthesizing insights from thousands of empirical studies to understand how AI impacts people and inform effective design. Existing approach for literature reviews cluster…

人机交互 · 计算机科学 2025-10-01 Chayapatr Archiwaranguprok , Awu Chen , Sheer Karny , Hiroshi Ishii , Pattie Maes , Pat Pataranutaporn

It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the…

机器学习 · 计算机科学 2024-12-10 Azwad Tamir , Jiann-Shiun Yuan

A comprehensive pharmaceutical recommendation system was designed based on the patients and drugs features extracted from Drugs.com and Druglib.com. First, data from these databases were combined, and a dataset of patients and drug…

Subgraph-based methods have proven to be effective and interpretable in predicting drug-drug interactions (DDIs), which are essential for medical practice and drug development. Subgraph selection and encoding are critical stages in these…

机器学习 · 计算机科学 2024-11-05 Haotong Du , Quanming Yao , Juzheng Zhang , Yang Liu , Zhen Wang

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

机器学习 · 计算机科学 2026-03-27 Zimo Yan , Jie Zhang , Zheng Xie , Yiping Song , Hao Li

Thanks to the increasing availability of drug-drug interactions (DDI) datasets and large biomedical knowledge graphs (KGs), accurate detection of adverse DDI using machine learning models becomes possible. However, it remains largely an…

机器学习 · 计算机科学 2021-05-10 Yue Yu , Kexin Huang , Chao Zhang , Lucas M. Glass , Jimeng Sun , Cao Xiao

We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate…

机器学习 · 计算机科学 2024-07-02 Ben Fauber

We present a scalable, AI-powered system that identifies and extracts evidence-based behavioral nudges from unstructured biomedical literature. Nudges are subtle, non-coercive interventions that influence behavior without limiting choice,…

Drug target interaction (DTI) prediction is a cornerstone of computational drug discovery, enabling rational design, repurposing, and mechanistic insights. While deep learning has advanced DTI modeling, existing approaches primarily rely on…

机器学习 · 计算机科学 2025-11-05 Feng Jiang , Amina Mollaysa , Hehuan Ma , Tommaso Mansi , Junzhou Huang , Mangal Prakash , Rui Liao

Drug-target interaction (DTI) prediction is a critical component of the drug discovery process. In the drug development engineering field, predicting novel drug-target interactions is extremely crucial.However, although existing methods…

生物大分子 · 定量生物学 2024-05-24 Hongzhi Zhang , Xiuwen Gong , Shirui Pan , Jia Wu , Bo Du , Wenbin Hu