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The discovery of drug-target interactions (DTIs) plays a crucial role in pharmaceutical development. The deep learning model achieves more accurate results in DTI prediction due to its ability to extract robust and expressive features from…

机器学习 · 计算机科学 2024-04-17 Bin Liu , Siqi Wu , Jin Wang , Xin Deng , Ao Zhou

Adverse drug reaction (ADR) is widely concerned for public health issue. ADRs are one of most common causes to withdraw some drugs from market. Prescription event monitoring (PEM) is an important approach to detect the adverse drug…

计算工程、金融与科学 · 计算机科学 2013-07-08 Yihui Liu , Uwe Aickelin

The integration of Artificial Intelligence (AI) into the field of drug discovery has been a growing area of interdisciplinary scientific research. However, conventional AI models are heavily limited in handling complex biomedical structures…

机器学习 · 计算机科学 2024-07-25 Zhiqiang Zhong , Anastasia Barkova , Davide Mottin

Adverse drug events (ADEs) are an important aspect of drug safety. Various texts such as biomedical literature, drug reviews, and user posts on social media and medical forums contain a wealth of information about ADEs. Recent studies have…

计算与语言 · 计算机科学 2024-05-21 Shaoxiong Ji , Ya Gao , Pekka Marttinen

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still…

机器学习 · 统计学 2019-05-03 Andreea Deac , Yu-Hsiang Huang , Petar Veličković , Pietro Liò , Jian Tang

With the advancements in Artificial intelligence (AI) and the accumulation of healthrelated big data, it has become increasingly feasible and commonplace to leverage machine learning technologies to analyze clinical and omics metadata to…

基因组学 · 定量生物学 2022-04-14 Attayeb Mohsen , Lokesh P. Tripathi , Kenji Mizuguchi

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high…

人工智能 · 计算机科学 2022-02-16 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

Identification theory for causal effects in causal models associated with hidden variable directed acyclic graphs (DAGs) is well studied. However, the corresponding algorithms are underused due to the complexity of estimating the…

机器学习 · 统计学 2022-10-17 Rohit Bhattacharya , Razieh Nabi , Ilya Shpitser

Background: The problem of predicting whether a drug combination of arbitrary orders is likely to induce adverse drug reactions is considered in this manuscript. Methods: Novel kernels over drug combinations of arbitrary orders are…

机器学习 · 计算机科学 2019-02-26 Wen-Hao Chiang , Li Shen , Lang Li , Xia Ning

Post--marketing pharmacovigilance is essential for identifying adverse drug reactions (ADRs) that elude detection during pre--marketing clinical trials. This study explores a novel approach that integrates an adverse event (AE) ontology…

We present an algorithm based on multi-layer transformers for identifying Adverse Drug Reactions (ADR) in social media data. Our model relies on the properties of the problem and the characteristics of contextual word embeddings to extract…

计算与语言 · 计算机科学 2021-05-25 Payam Karisani , Jinho D. Choi , Li Xiong

Drug combinations can cause adverse drug-drug interactions(DDIs). Identifying specific effects is crucial for developing safer therapies. Previous works on DDI event prediction have typically been limited to using labels of specific events…

生物大分子 · 定量生物学 2024-11-05 Yingying Wang , Yun Xiong , Xixi Wu , Xiangguo Sun , Jiawei Zhang

Examining Drug-Drug Interactions (DDIs) is a pivotal element in the process of drug development. DDIs occur when one drug's properties are affected by the inclusion of other drugs. Detecting favorable DDIs has the potential to pave the way…

机器学习 · 计算机科学 2026-03-20 Azmine Toushik Wasi , Taki Hasan Rafi , Raima Islam , Serbetar Karlo , Dong-Kyu Chae

Properties of molecules are indicative of their functions and thus are useful in many applications. With the advances of deep learning methods, computational approaches for predicting molecular properties are gaining increasing momentum.…

定量方法 · 定量生物学 2021-07-07 Zhengyang Wang , Meng Liu , Youzhi Luo , Zhao Xu , Yaochen Xie , Limei Wang , Lei Cai , Qi Qi , Zhuoning Yuan , Tianbao Yang , Shuiwang Ji

Minimizing adverse reactions caused by drug-drug interactions has always been a momentous research topic in clinical pharmacology. Detecting all possible interactions through clinical studies before a drug is released to the market is a…

人工智能 · 计算机科学 2018-03-13 Meng Wang

We present a method for transferring neural representations from label-rich source domains to unlabeled target domains. Recent adversarial methods proposed for this task learn to align features across domains by fooling a special domain…

计算机视觉与模式识别 · 计算机科学 2018-03-05 Kuniaki Saito , Yoshitaka Ushiku , Tatsuya Harada , Kate Saenko

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

机器学习 · 计算机科学 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Recommending safe and effective medication combinations from electronic health records (EHRs) is a core clinical AI problem, yet it remains difficult because patient trajectories are long, noisy, and clinically heterogeneous. Existing…

机器学习 · 计算机科学 2026-05-21 Krati Saxena , Tomohiro Shibata

Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost.…

机器学习 · 计算机科学 2019-08-06 Md. Rezaul Karim , Michael Cochez , Joao Bosco Jares , Mamtaz Uddin , Oya Beyan , Stefan Decker

For translational impact, both accurate drug response prediction and biological plausibility of predictive features are needed. We present drGT, a heterogeneous graph deep learning model over drugs, genes, and cell lines that couples…

机器学习 · 计算机科学 2026-03-18 Yoshitaka Inoue , Hunmin Lee , Tianfan Fu , Rui Kuang , Augustin Luna