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Related papers: LLMs for Drug-Drug Interaction Prediction: A Compr…

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Drug-drug interactions (DDIs) are a major concern in polypharmacy. Public databases often provide only qualitative descriptions without pharmacokinetic context. We present an interactive web tool that integrates 191,541 descriptive DDI…

Quantitative Methods · Quantitative Biology 2025-08-13 Nadezhda Diadkina

Therapeutic development is a costly and high-risk endeavor that is often plagued by high failure rates. To address this, we introduce TxGemma, a suite of efficient, generalist large language models (LLMs) capable of therapeutic property…

Artificial Intelligence · Computer Science 2025-04-09 Eric Wang , Samuel Schmidgall , Paul F. Jaeger , Fan Zhang , Rory Pilgrim , Yossi Matias , Joelle Barral , David Fleet , Shekoofeh Azizi

Large language models (LLMs) are in the ascendancy for research in drug discovery, offering unprecedented opportunities to reshape drug research by accelerating hypothesis generation, optimizing candidate prioritization, and enabling more…

Machine Learning · Computer Science 2026-04-06 Tianyu Liu , Sihan Jiang , Fan Zhang , Kunyang Sun , Teresa Head-Gordon , Hongyu Zhao

The recent success of large language models (LLMs) has paved the way for their adoption in the high-stakes domain of healthcare. Specifically, the application of LLMs in patient-trial matching, which involves assessing patient eligibility…

Artificial Intelligence · Computer Science 2023-12-18 Mauro Nievas , Aditya Basu , Yanshan Wang , Hrituraj Singh

We propose a novel neural method to extract drug-drug interactions (DDIs) from texts using external drug molecular structure information. We encode textual drug pairs with convolutional neural networks and their molecular pairs with graph…

Computation and Language · Computer Science 2018-05-16 Masaki Asada , Makoto Miwa , Yutaka Sasaki

Large Language Models (LLMs) have shown significant potential in understanding human communication and interaction. However, their performance in the domain of child-inclusive interactions, including in clinical settings, remains less…

Computation and Language · Computer Science 2024-11-19 Tiantian Feng , Anfeng Xu , Rimita Lahiri , Helen Tager-Flusberg , So Hyun Kim , Somer Bishop , Catherine Lord , Shrikanth Narayanan

As a necessary process in drug development, finding a drug compound that can selectively bind to a specific protein is highly challenging and costly. Drug-target affinity (DTA), which represents the strength of drug-target interaction…

Biomolecules · Quantitative Biology 2023-12-18 Zhiqin Zhu , Zheng Yao , Guanqiu Qi , Neal Mazur , Baisen Cong

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…

Biomolecules · Quantitative Biology 2024-05-24 Hongzhi Zhang , Xiuwen Gong , Shirui Pan , Jia Wu , Bo Du , Wenbin Hu

Large language models (LLMs) constitute a breakthrough state-of-the-art Artificial Intelligence technology which is rapidly evolving and promises to aid in medical diagnosis. However, the correctness and the accuracy of their returns has…

Computation and Language · Computer Science 2024-02-07 Dimitrios P. Panagoulias , Maria Virvou , George A. Tsihrintzis

Drug-drug interactions (DDIs) are a major cause of preventable hospitalizations and deaths. Predicting the occurrence of DDIs helps drug safety professionals allocate investigative resources and take appropriate regulatory action promptly.…

Machine Learning · Computer Science 2018-11-02 Xu Chu , Yang Lin , Jingyue Gao , Jiangtao Wang , Yasha Wang , Leye Wang

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…

Machine Learning · Computer Science 2026-03-20 Azmine Toushik Wasi , Taki Hasan Rafi , Raima Islam , Serbetar Karlo , Dong-Kyu Chae

Large language models (LLMs) such as ChatGPT have gained considerable interest across diverse research communities. Their notable ability for text completion and generation has inaugurated a novel paradigm for language-interfaced problem…

Quantitative Methods · Quantitative Biology 2024-02-22 Hengchuang Yin , Zhonghui Gu , Fanhao Wang , Yiparemu Abuduhaibaier , Yanqiao Zhu , Xinming Tu , Xian-Sheng Hua , Xiao Luo , Yizhou Sun

Matching patients to clinical trial options is critical for identifying novel treatments, especially in oncology. However, manual matching is labor-intensive and error-prone, leading to recruitment delays. Pipelines incorporating large…

Computation and Language · Computer Science 2025-09-25 Braxton A. Morrison , Madhumita Sushil , Jacob S. Young

Large Language Models (LLMs) offer new potential for automating documentation-to-code traceability, yet their capabilities remain underexplored. We present a comprehensive evaluation of LLMs (Claude 3.5 Sonnet, GPT-4o, and o3-mini) in…

Software Engineering · Computer Science 2025-08-08 Ebube Alor , SayedHassan Khatoonabadi , Emad Shihab

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

Detecting deception in an increasingly digital world is both a critical and challenging task. In this study, we present a comprehensive evaluation of the automated deception detection capabilities of Large Language Models (LLMs) and Large…

Computation and Language · Computer Science 2025-06-12 Md Messal Monem Miah , Adrita Anika , Xi Shi , Ruihong Huang

We propose an end-to-end model to predict drug-drug interactions (DDIs) by employing graph-augmented convolutional networks. And this is implemented by combining graph CNN with an attentive pooling network to extract structural relations…

Machine Learning · Computer Science 2025-07-01 Yi Zhong , Xueyu Chen , Yu Zhao , Xiaoming Chen , Tingfang Gao , Zuquan Weng

Language models (LMs) are machine learning models designed to predict linguistic patterns by estimating the probability of word sequences based on large-scale datasets, such as text. LMs have a wide range of applications in natural language…

The development of large language models (LLM) has revolutionized various fields and is anticipated to drive the advancement of autonomous systems. In the context of autonomous optical networks, creating a high-level cognitive agent in the…

Networking and Internet Architecture · Computer Science 2024-11-04 Yuchen Song , Yao Zhang , Anni Zhou , Yan Shi , Shikui Shen , Xiongyan Tang , Jin Li , Min Zhang , Danshi Wang

Predicting drug-target interaction (DTI) is critical in the drug discovery process. Despite remarkable advances in recent DTI models through the integration of representations from diverse drug and target encoders, such models often…

Quantitative Methods · Quantitative Biology 2025-09-30 Zhaohan Meng , Zaiqiao Meng , Ke Yuan , Iadh Ounis