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Background: Biomedical entity normalization is critical to biomedical research because the richness of free-text clinical data, such as progress notes, can often be fully leveraged only after translating words and phrases into structured…

Computation and Language · Computer Science 2024-05-27 Nicholas J Dobbins

The development of vision-language models (VLMs) is driven by large-scale and diverse multimodal datasets. However, progress toward generalist biomedical VLMs is limited by the lack of annotated, publicly accessible datasets across biology…

Model biomembrane systems play a crucial role in advancing biomedical research by providing simplified yet effective platforms for exploring complex biological mechanisms. These systems span a wide range of scales, from…

Soft Condensed Matter · Physics 2025-10-01 Ajit Seth , Sajal K. Ghosh , Veerendra K. Sharma

Personalized medicine remains a major challenge for scientists. The rapid growth of Machine learning and Deep learning has made them a feasible al- ternative for predicting the most appropriate therapy for individual patients. However, the…

Machine Learning · Computer Science 2025-06-10 Antonio Jesús Banegas-Luna , Horacio Pérez-Sánchez

Recently, Large Language Models (LLMs) have showcased remarkable capabilities in natural language understanding. While demonstrating proficiency in everyday conversations and question-answering situations, these models frequently struggle…

Computation and Language · Computer Science 2023-08-28 Chaoyi Wu , Weixiong Lin , Xiaoman Zhang , Ya Zhang , Yanfeng Wang , Weidi Xie

Machine learning (ML) empowers biomedical systems with the capability to optimize their performance through modeling of the available data extremely well, without using strong assumptions about the modeled system. Especially in nano-scale…

We introduce BiMediX2, a bilingual (Arabic-English) Bio-Medical EXpert Large Multimodal Model that supports text-based and image-based medical interactions. It enables multi-turn conversation in Arabic and English and supports diverse…

Background: Systems biology projects and omics technologies have led to a growing number of biochemical pathway reconstructions. However, mathematical models are still most often created de novo, based on reading the literature and…

BioNetGen is an open-source software package for rule-based modeling of complex biochemical systems. Version 2.2 of the software introduces numerous new features for both model specification and simulation. Here, we report on these…

The introduction of computational techniques to analyze chemical data has given rise to the analytical study of biological systems, known as "bioinformatics". One facet of bioinformatics is using machine learning (ML) technology to detect…

Quantitative Methods · Quantitative Biology 2022-08-23 Tanish Jain , Praveen Kumar Pandian Shanmuganathan

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

The design productivity gap requires more efficient design methods. Software systems have faced the same challenge and seem to have mastered it with the introduction of more abstract design methods. The UML has become the standard for…

Software Engineering · Computer Science 2011-11-09 Tim Schattkowsky

Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted…

Computation and Language · Computer Science 2025-12-01 Qizhi Pei , Zhimeng Zhou , Kaiyuan Gao , Jinhua Zhu , Yue Wang , Zun Wang , Tao Qin , Lijun Wu , Rui Yan

The rise of machine learning (ML) and its integration into software systems has drastically changed development practices. While software engineering traditionally focused on manually created code artifacts with dedicated processes and…

Software Engineering · Computer Science 2025-02-25 Yorick Sens , Henriette Knopp , Sven Peldszus , Thorsten Berger

Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in…

Machine Learning · Computer Science 2025-10-03 Dongki Kim , Wonbin Lee , Sung Ju Hwang

Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology and enzyme engineering. Recent breakthroughs in artificial intelligence have revolutionized…

Computation and Language · Computer Science 2025-07-28 Xiang Zhuang , Keyan Ding , Tianwen Lyu , Yinuo Jiang , Xiaotong Li , Zhuoyi Xiang , Zeyuan Wang , Ming Qin , Kehua Feng , Jike Wang , Qiang Zhang , Huajun Chen

Large language models applied to vast biological datasets have the potential to transform biology by uncovering disease mechanisms and accelerating drug development. However, current models are often siloed, trained separately on…

Multimodal large language models (MLLMs) have demonstrated promise on publicly available dermatology benchmarks. However, benchmark performance may not generalize to real-world dermatologic decision-making. To quantify this…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 Roy Jiang , Hyunjae Kim , Zhenyue Qin , Morten Lee , Margaret MacGibeny , Ailish Hanly , Angela Sadlowski , Shanin Chowdhury , Xuguang Ai , Jeffrey Gehlhausen , Qingyu Chen