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Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

This paper explores the advancements and applications of large-scale models in the medical field, with a particular focus on Medical Large Models (MedLMs). These models, encompassing Large Language Models (LLMs), Vision Models, 3D Large…

Artificial Intelligence · Computer Science 2025-10-08 YunHe Su , Zhengyang Lu , Junhui Liu , Ke Pang , Haoran Dai , Sa Liu , Yuxin Jia , Lujia Ge , Jing-min Yang

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug…

Quantitative Methods · Quantitative Biology 2024-01-22 Geyan Ye , Xibao Cai , Houtim Lai , Xing Wang , Junhong Huang , Longyue Wang , Wei Liu , Xiangxiang Zeng

Large Language Models (LLMs) are transforming healthcare through the development of LLM-based agents that can understand, reason about, and assist with medical tasks. This survey provides a comprehensive review of LLM-based agents in…

Computation and Language · Computer Science 2025-05-27 Wenxuan Wang , Zizhan Ma , Zheng Wang , Chenghan Wu , Jiaming Ji , Wenting Chen , Xiang Li , Yixuan Yuan

Since the release of ChatGPT and GPT-4, large language models (LLMs) and multimodal large language models (MLLMs) have attracted widespread attention for their exceptional capabilities in understanding, reasoning, and generation,…

Computation and Language · Computer Science 2024-12-31 Hanguang Xiao , Feizhong Zhou , Xingyue Liu , Tianqi Liu , Zhipeng Li , Xin Liu , Xiaoxuan Huang

Large Language Models (LLMs) encounter challenges with the unique syntax of specific domains, such as biomolecules. Existing fine-tuning or modality alignment techniques struggle to bridge the domain knowledge gap and understand complex…

Biomolecules · Quantitative Biology 2024-06-28 Jinzhe Liu , Xiangsheng Huang , Zhuo Chen , Yin Fang

As the latest advancements in natural language processing, large language models (LLMs) have achieved human-level language understanding and generation abilities in many real-world tasks, and even have been regarded as a potential path to…

The biomedical field relies heavily on concept linking in various areas such as literature mining, graph alignment, information retrieval, question-answering, data, and knowledge integration. Although large language models (LLMs) have made…

Computation and Language · Computer Science 2023-07-04 Qinyong Wang , Zhenxiang Gao , Rong Xu

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and…

Computation and Language · Computer Science 2024-07-16 Biqing Qi , Kaiyan Zhang , Kai Tian , Haoxiang Li , Zhang-Ren Chen , Sihang Zeng , Ermo Hua , Hu Jinfang , Bowen Zhou

In the past year, MultiModal Large Language Models (MM-LLMs) have undergone substantial advancements, augmenting off-the-shelf LLMs to support MM inputs or outputs via cost-effective training strategies. The resulting models not only…

Computation and Language · Computer Science 2024-05-29 Duzhen Zhang , Yahan Yu , Jiahua Dong , Chenxing Li , Dan Su , Chenhui Chu , Dong Yu

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

Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However, the current LLMs overlook a critical requirement for drug…

Machine Learning · Computer Science 2025-02-18 Hyosoon Jang , Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

Large language models (LLMs) have shown strong empirical performance across pharmacology and drug discovery tasks, yet the internal mechanisms by which they encode pharmacological knowledge remain poorly understood. In this work, we…

Computation and Language · Computer Science 2026-03-05 Basil Hasan Khwaja , Dylan Chen , Guntas Toor , Anastasiya Kuznetsova

Large Language Models (LLMs) have emerged as a potential solution to assist digital health development with patient education, commonly medication-related enquires. We trained and validated Med-Pal, a medication domain-specific LLM-chatbot…

Large language models (LLMs), such as ChatGPT, have received substantial attention due to their capabilities for understanding and generating human language. While there has been a burgeoning trend in research focusing on the employment of…

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…

Artificial Intelligence · Computer Science 2025-05-12 Lorenzo Di Fruscia , Jana Marie Weber

We present Clinical Camel, an open large language model (LLM) explicitly tailored for clinical research. Fine-tuned from LLaMA-2 using QLoRA, Clinical Camel achieves state-of-the-art performance across medical benchmarks among openly…

Computation and Language · Computer Science 2023-08-21 Augustin Toma , Patrick R. Lawler , Jimmy Ba , Rahul G. Krishnan , Barry B. Rubin , Bo Wang

Recently, Large Language Models (LLM) have demonstrated impressive capability to solve a wide range of tasks. However, despite their success across various tasks, no prior work has investigated their capability in the biomedical domain yet.…

Computation and Language · Computer Science 2024-02-21 Israt Jahan , Md Tahmid Rahman Laskar , Chun Peng , Jimmy Huang

To address challenges in the digital economy's landscape of digital intelligence, large language models (LLMs) have been developed. Improvements in computational power and available resources have significantly advanced LLMs, allowing their…

Computation and Language · Computer Science 2024-05-24 Yanxin Zheng , Wensheng Gan , Zefeng Chen , Zhenlian Qi , Qian Liang , Philip S. Yu

Large language models (LLMs) have emerged as powerful tools with transformative potential across numerous domains, including healthcare and medicine. In the medical domain, LLMs hold promise for tasks ranging from clinical decision support…

Computation and Language · Computer Science 2024-05-14 Xiaolan Chen , Jiayang Xiang , Shanfu Lu , Yexin Liu , Mingguang He , Danli Shi