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Discovery gene-disease links is important in biology and medicine areas, enabling disease identification and drug repurposing. Machine learning approaches accelerate this process by leveraging biological knowledge represented in ontologies…

Machine Learning · Computer Science 2025-04-14 Catarina Canastra , Cátia Pesquita

This paper explores how the Distantly Supervised Relation Extraction (DS-RE) can benefit from the use of a Universal Graph (UG), the combination of a Knowledge Graph (KG) and a large-scale text collection. A straightforward extension of a…

Computation and Language · Computer Science 2021-05-07 Qin Dai , Naoya Inoue , Ryo Takahashi , Kentaro Inui

The intrinsic complexity of human biology presents ongoing challenges to scientific understanding. Researchers collaborate across disciplines to expand our knowledge of the biological interactions that define human life. AI methodologies…

The advent of Large Language Models (LLMs) has revolutionized natural language processing. However, these models face challenges in retrieving precise information from vast datasets. Retrieval-Augmented Generation (RAG) was developed to…

Information Retrieval · Computer Science 2025-03-04 Yuxin Yang , Haoyang Wu , Tao Wang , Jia Yang , Hao Ma , Guojie Luo

The advent of large language models (LLMs) has revolutionized the integration of knowledge graphs (KGs) in biomedical and cognitive sciences, overcoming limitations in traditional machine learning methods for capturing intricate semantic…

Artificial Intelligence · Computer Science 2025-10-09 Ali Sarabadani , Kheirolah Rahsepar Fard

Drug synergy prediction (DSP) aims to identify efficacious drug combinations under various cellular contexts with different targets. However, the continual emergence of novel compounds results in variations in molecular scaffolds and sizes,…

Machine Learning · Computer Science 2026-05-29 Xin Wang , Linxin Xiao , Yang Yao , Wenwu Zhu

The surging amount of biomedical literature & digital clinical records presents a growing need for text mining techniques that can not only identify but also semantically relate entities in unstructured data. In this paper we propose a text…

Computation and Language · Computer Science 2021-12-28 Hasham Ul Haq , Veysel Kocaman , David Talby

Medicinal synergy prediction is a powerful tool in drug discovery and development that harnesses the principles of combination therapy to enhance therapeutic outcomes by improving efficacy, reducing toxicity, and preventing drug resistance.…

Computational Engineering, Finance, and Science · Computer Science 2024-11-26 Jiawei Wu , Jun Wen , Mingyuan Yan , Anqi Dong , Shuai Gao , Ren Wang , Can Chen

Accurately predicting drug-target binding affinity (DTA) in silico is a key task in drug discovery. Most of the conventional DTA prediction methods are simulation-based, which rely heavily on domain knowledge or the assumption of having the…

Machine Learning · Computer Science 2020-04-06 Xuan Lin

In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

Electronic medical records contain multi-format electronic medical data that consist of an abundance of medical knowledge. Facing with patient's symptoms, experienced caregivers make right medical decisions based on their professional…

Databases · Computer Science 2017-07-25 Meng Wang , Jiaheng Zhang , Jun Liu , Wei Hu , Sen Wang , Xue Li , Wenqiang Liu

Recent advances in natural language processing (NLP), particularly with the emergence of large language models (LLMs), have significantly enhanced the field of textual analysis. However, while these developments have yielded substantial…

Computation and Language · Computer Science 2026-01-15 Vishesh Prasad , Brian Kim , Nickvash Kani

Illuminating the interconnections between drugs and genes is an important topic in drug development and precision medicine. Currently, computational predictions of drug-gene interactions mainly focus on the binding interactions without…

Machine Learning · Computer Science 2022-05-13 Jiahua Rao , Shuangjia Zheng , Sijie Mai , Yuedong Yang

Motivation: Computational prediction of multiple-type drug-drug interaction (DDI) helps reduce unexpected side effects in poly-drug treatments. Although existing computational approaches achieve inspiring results, they ignore that the…

Machine Learning · Computer Science 2021-12-07 Hui Yu , ShiYu Zhao , JianYu Shi

Interaction between pharmacological agents can trigger unexpected adverse events. Capturing richer and more comprehensive information about drug-drug interactions (DDI) is one of the key tasks in public health and drug development.…

Machine Learning · Computer Science 2020-10-19 Yuanfei Dai , Chenhao Guo , Wenzhong Guo , Carsten Eickhoff

Motivation: Identifying drug-target interactions (DTIs) is a key step in drug repositioning. In recent years, the accumulation of a large number of genomics and pharmacology data has formed mass drug and target related heterogeneous…

Machine Learning · Computer Science 2022-10-19 Hongzhun Wang , Feng Huang , Wen Zhang

Large language models (LLMs) are transforming the way information is retrieved with vast amounts of knowledge being summarized and presented via natural language conversations. Yet, LLMs are prone to highlight the most frequently seen…

Computation and Language · Computer Science 2024-02-20 Julien Delile , Srayanta Mukherjee , Anton Van Pamel , Leonid Zhukov

Here we present a holistic approach for data exploration on dense knowledge graphs as a novel approach with a proof-of-concept in biomedical research. Knowledge graphs are increasingly becoming a vital factor in knowledge mining and…

Artificial Intelligence · Computer Science 2019-12-16 Jens Dörpinghaus , Alexander Apke , Vanessa Lage-Rupprecht , Andreas Stefan

Drug recommendation (DR) systems aim to support healthcare professionals in selecting appropriate medications based on patients' medical conditions. State-of-the-art approaches utilize deep learning techniques for improving DR, but fall…

Information Retrieval · Computer Science 2025-11-03 Yu Lin , Zhen Jia , Philipp Christmann , Xu Zhang , Shengdong Du , Tianrui Li

Medical deep learning models depend heavily on domain-specific knowledge to perform well on knowledge-intensive clinical tasks. Prior work has primarily leveraged unimodal knowledge graphs, such as the Unified Medical Language System…

Artificial Intelligence · Computer Science 2025-05-26 Xiaochen Wang , Yuan Zhong , Lingwei Zhang , Lisong Dai , Ting Wang , Fenglong Ma