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Combination therapy has shown to improve therapeutic efficacy while reducing side effects. Importantly, it has become an indispensable strategy to overcome resistance in antibiotics, anti-microbials, and anti-cancer drugs. Facing enormous…

Molecular Networks · Quantitative Biology 2020-04-24 Mostafa Karimi , Arman Hasanzadeh , Yang shen

Efficient patient-doctor interaction is among the key factors for a successful disease diagnosis. During the conversation, the doctor could query complementary diagnostic information, such as the patient's symptoms, previous surgery, and…

Computation and Language · Computer Science 2024-10-08 Xueshen Li , Xinlong Hou , Nirupama Ravi , Ziyi Huang , Yu Gan

Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

Machine Learning · Computer Science 2021-07-07 J. Wang , X. Liu , S. Shen , L. Deng , H. Liu*

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…

Machine Learning · Computer Science 2025-11-17 Namkyeong Lee , Edward De Brouwer , Ehsan Hajiramezanali , Tommaso Biancalani , Chanyoung Park , Gabriele Scalia

Medication Recommendation (MR) is a promising research topic which booms diverse applications in the healthcare and clinical domains. However, existing methods mainly rely on sequential modeling and static graphs for representation…

Machine Learning · Computer Science 2025-01-16 Guanlin Liu , Xiaomei Yu , Zihao Liu , Xue Li , Xingxu Fan , Xiangwei Zheng

Recent progress in deep learning is revolutionizing the healthcare domain including providing solutions to medication recommendations, especially recommending medication combination for patients with complex health conditions. Existing…

Artificial Intelligence · Computer Science 2019-03-08 Junyuan Shang , Cao Xiao , Tengfei Ma , Hongyan Li , Jimeng Sun

Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns. Accurate…

Quantitative Methods · Quantitative Biology 2025-08-22 Ali Vefghi , Zahed Rahmati , Mohammad Akbari

Drug-drug interaction (DDI) identification is a crucial aspect of pharmacology research. There are many DDI types (hundreds), and they are not evenly distributed with equal chance to occur. Some of the rarely occurred DDI types are often…

Machine Learning · Computer Science 2024-10-17 Liangwei Nathan Zheng , Chang George Dong , Wei Emma Zhang , Xin Chen , Lin Yue , Weitong Chen

Drug-drug interactions (DDI) can cause severe adverse drug reactions and pose a major challenge to medication therapy. Recently, informatics-based approaches are emerging for DDI studies. In this paper, we aim to identify key…

Quantitative Methods · Quantitative Biology 2019-12-09 Jianyuan Deng , Fusheng Wang

Although many pretrained models exist for text or images, there have been relatively fewer attempts to train representations specifically for dialog understanding. Prior works usually relied on finetuned representations based on generic…

Computation and Language · Computer Science 2022-05-04 Bishal Santra , Sumegh Roychowdhury , Aishik Mandal , Vasu Gurram , Atharva Naik , Manish Gupta , Pawan Goyal

Large Language Models (LLMs) have grown exponentially since the release of ChatGPT. These models have gained attention due to their robust performance on various tasks, including language processing tasks. These models achieve understanding…

Computation and Language · Computer Science 2025-08-11 Ali Sarabadani , Maryam Abdollahi Shamami , Hamidreza Sadeghsalehi , Borhan Asadi , Saba Hesaraki

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…

Machine Learning · Computer Science 2026-05-21 Krati Saxena , Tomohiro Shibata

Most existing methods for predicting drug-drug interactions (DDI) predominantly concentrate on capturing the explicit relationships among drugs, overlooking the valuable implicit correlations present between drug pairs (DPs), which leads to…

Machine Learning · Computer Science 2024-02-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Weiqiang Jin , Biao Zhao

Task-oriented dialogue generation is challenging since the underlying knowledge is often dynamic and effectively incorporating knowledge into the learning process is hard. It is particularly challenging to generate both human-like and…

Computation and Language · Computer Science 2022-04-21 Md Rashad Al Hasan Rony , Ricardo Usbeck , Jens Lehmann

Traditional relational databases contain a lot of latent semantic information that have largely remained untapped due to the difficulty involved in automatically extracting such information. Recent works have proposed unsupervised machine…

Large Language Models (LLMs) have demonstrated remarkable performance across a wide range of applications, e.g., medical question-answering, mathematical sciences, and code generation. However, they also exhibit inherent limitations, such…

Cryptography and Security · Computer Science 2025-06-23 Yang Jiao , Xiaodong Wang , Kai Yang

Drug-drug interaction prediction is a crucial issue in molecular biology. Traditional methods of observing drug-drug interactions through medical experiments require significant resources and labor. This paper presents a medical knowledge…

Computation and Language · Computer Science 2024-07-29 Peng Gao , Feng Gao , Jian-Cheng Ni , Yu Wang , Fei Wang

Co-administration of two or more drugs simultaneously can result in adverse drug reactions. Identifying drug-drug interactions (DDIs) is necessary, especially for drug development and for repurposing old drugs. DDI prediction can be viewed…

Quantitative Methods · Quantitative Biology 2022-10-21 Stuti Jain , Emilie Chouzenoux , Kriti Kumar , Angshul Majumdar

Knowledge-driven dialog system has recently made remarkable breakthroughs. Compared with general dialog systems, superior knowledge-driven dialog systems can generate more informative and knowledgeable responses with pre-provided knowledge.…

Computation and Language · Computer Science 2023-02-24 Zhongtian Hu , Lifang Wang , Yangqi Chen , Yushuang Liu , Ronghan Li , Meng Zhao , Xinyu Lu , Zejun Jiang

Dialogue systems for Automatic Differential Diagnosis (ADD) have a wide range of real-life applications. These dialogue systems are promising for providing easy access and reducing medical costs. Building end-to-end ADD dialogue systems…

Computation and Language · Computer Science 2023-08-17 Srija Macherla , Man Luo , Mihir Parmar , Chitta Baral