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Background: Automatic extraction of chemical-disease relations (CDR) from unstructured text is of essential importance for disease treatment and drug development. Meanwhile, biomedical experts have built many highly-structured knowledge…

Computation and Language · Computer Science 2019-12-24 Huiwei Zhou , Chengkun Lang , Zhuang Liu , Shixian Ning , Yingyu Lin , Lei Du

Automatically extracting organization names from the affiliation sentences of articles related to biomedicine is of great interest to the pharmaceutical marketing industry, health care funding agencies and public health officials. It will…

Digital Libraries · Computer Science 2010-05-17 Siddhartha Jonnalagadda , Philip Topham , Graciela Gonzalez

As social changes accelerate, the incidence of psychosomatic disorders has significantly increased, becoming a major challenge in global health issues. This necessitates an innovative knowledge system and analytical methods to aid in…

Artificial Intelligence · Computer Science 2024-12-25 Zihan Zhou , Ziyi Zeng , Wenhao Jiang , Yihui Zhu , Jiaxin Mao , Yonggui Yuan , Min Xia , Shubin Zhao , Mengyu Yao , Yunqian Chen

The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding disease mechanisms, facilitating drug discovery, and optimizing…

Quantitative Methods · Quantitative Biology 2024-09-10 Yizhen Zheng , Huan Yee Koh , Maddie Yang , Li Li , Lauren T. May , Geoffrey I. Webb , Shirui Pan , George Church

In recent years, the number of papers on Alzheimer's disease classification has increased dramatically, generating interesting methodological ideas on the use machine learning and feature extraction methods. However, practical impact is…

In this work we present a deep learning approach to conduct hypothesis-free, transcriptomics-based matching of drugs for diseases. Our proposed neural network architecture is trained on approved drug-disease indications, taking as input the…

Genomics · Quantitative Biology 2023-03-22 Yannis Papanikolaou , Francesco Tuveri , Misa Ogura , Daniel O'Donovan

Cancer drug response prediction (DRP) models present a promising approach towards precision oncology, tailoring treatments to individual patient profiles. While deep learning (DL) methods have shown great potential in this area, models that…

Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a…

Physicians learn primarily about illicit drugs from clinical overdose cases, limiting their understanding of real-world usage. Meanwhile, drug users share first-hand experiences online, offering insights into dosage and effects of drugs. To…

Computation and Language · Computer Science 2026-05-27 Zewei Wang , Zihan Xu , Yishu Wei , Michael Chary , Yifan Peng

Gaining more comprehensive knowledge about drug-drug interactions (DDIs) is one of the most important tasks in drug development and medical practice. Recently graph neural networks have achieved great success in this task by modeling drugs…

Machine Learning · Computer Science 2019-10-09 Tengfei Ma , Junyuan Shang , Cao Xiao , Jimeng Sun

Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided…

Machine Learning · Computer Science 2026-02-10 Haoran Liu , Zheni Zeng , Yukun Yan , Yuxuan Chen , Yunduo Xiao

Accurate drug response prediction (DRP) is a crucial yet challenging task in precision medicine. This paper presents a novel Attention-Guided Multi-omics Integration (AGMI) approach for DRP, which first constructs a Multi-edge Graph (MeG)…

Genomics · Quantitative Biology 2022-01-20 Ruiwei Feng , Yufeng Xie , Minshan Lai , Danny Z. Chen , Ji Cao , Jian Wu

Single-cell and single-nucleus RNA sequencing (scRNA-seq /snRNA-seq) are widely used to reveal heterogeneity in cells, showing a growing potential for precision and personalized medicine. Nonetheless, sustainable drug discovery must be…

Molecular Networks · Quantitative Biology 2025-10-01 Sean Cottrell , Seungmin Yoon , Xiaoqi Wei , Alex Dickson , Guo-Wei Wei

Is it feasible to create an analysis paradigm that can analyze and then accurately and quickly predict known drugs from experimental data? PharML.Bind is a machine learning toolkit which is able to accomplish this feat. Utilizing deep…

Biomolecules · Quantitative Biology 2019-11-15 Aaron D. Vose , Jacob Balma , Damon Farnsworth , Kaylie Anderson , Yuri K. Peterson

The study of molecule-target interaction is quite important for drug discovery in terms of target identification, hit identification, pathway study, drug-drug interaction, etc. Most existing methodologies utilize either biomedical network…

Machine Learning · Computer Science 2023-02-07 Jinjiang Guo , Jie Li

Cocaine addiction accounts for a large portion of substance use disorders and threatens millions of lives worldwide. There is an urgent need to come up with efficient anti-cocaine addiction drugs. Unfortunately, no medications have been…

Molecular Networks · Quantitative Biology 2021-09-21 Kaifu Gao , Dong Chen , Alfred J Robison , Guo-Wei Wei

Recent research has established both a theoretical basis and strong empirical evidence that effective social behavior plays a beneficial role in the maintenance of physical and psychological well-being of people. To test whether social…

Social and Information Networks · Computer Science 2017-05-29 Xinpei Ma , Hiroki Sayama

Discovering reliable and informative relationships among brain regions from functional magnetic resonance imaging (fMRI) signals is essential in phenotypic predictions. Most of the current methods fail to accurately characterize those…

Neurons and Cognition · Quantitative Biology 2024-06-11 Weikang Qiu , Huangrui Chu , Selena Wang , Haolan Zuo , Xiaoxiao Li , Yize Zhao , Rex Ying

Deep learning research on relation classification has achieved solid performance in the general domain. This study proposes a convolutional neural network (CNN) architecture with a multi-pooling operation for medical relation classification…

Computation and Language · Computer Science 2018-05-18 Bin He , Yi Guan , Rui Dai

Chemical-disease relation (CDR) extraction is significantly important to various areas of biomedical research and health care. Nowadays, many large-scale biomedical knowledge bases (KBs) containing triples about entity pairs and their…

Computation and Language · Computer Science 2020-01-03 Huiwei Zhou , Shixian Ning , Yunlong Yang , Zhuang Liu , Chengkun Lang , Yingyu Lin
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