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Targeted protein degradation (TPD) is a rapidly growing field in modern drug discovery that aims to regulate the intracellular levels of proteins by harnessing the cell's innate degradation pathways to selectively target and degrade…

Biomolecules · Quantitative Biology 2024-06-25 Yossra Gharbi , Rocío Mercado

Corpus distillation for biomedical large language models (LLMs) seeks to address the pressing challenge of insufficient quantity and quality in open-source annotated scientific corpora, which remains a bottleneck for effective LLM training…

Computation and Language · Computer Science 2025-12-19 Meng Xiao , Xunxin Cai , Qingqing Long , Chengrui Wang , Yuanchun Zhou , Hengshu Zhu

Automatic relationship extraction (RE) from biomedical literature is critical for managing the vast amount of scientific knowledge produced each year. In recent years, utilizing pre-trained language models (PLMs) has become the prevalent…

Computation and Language · Computer Science 2025-11-04 Mario Sänger , Ulf Leser

The rapid discovery of materials is constrained by the lack of large, machine-readable datasets that couple performance metrics with structural context. Existing databases are either small, manually curated, or biased toward first…

Machine Learning · Computer Science 2026-03-10 Subham Ghosh , Abhishek Tewari

PROTACs are a promising therapeutic modality that harnesses the cell's built-in degradation machinery to degrade specific proteins. Despite their potential, developing new PROTACs is challenging and requires significant domain expertise,…

Quantitative Methods · Quantitative Biology 2024-09-30 Stefano Ribes , Eva Nittinger , Christian Tyrchan , Rocío Mercado

Molecular editing-modifying a given molecule to improve desired properties-is a fundamental task in drug discovery. While LLMs hold the potential to solve this task using natural language to drive the editing, straightforward prompting…

Machine Learning · Computer Science 2026-02-10 Khiem Le , Ting Hua , Nitesh V. Chawla

Systematic reviews and meta-analyses rely on converting narrative articles into structured, numerically grounded study records. Despite rapid advances in large language models (LLMs), it remains unclear whether they can meet the structural…

Computation and Language · Computer Science 2026-02-12 Zhiyin Tan , Jennifer D'Souza

The global demand for sustainable protein sources has accelerated the need for intelligent tools that can rapidly process and synthesise domain-specific scientific knowledge. In this study, we present a proof-of-concept multi-agent…

Artificial Intelligence · Computer Science 2025-06-26 Alexander D. Kalian , Jaewook Lee , Stefan P. Johannesson , Lennart Otte , Christer Hogstrand , Miao Guo

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Pretrained language models (PLMs) trained on large-scale unlabeled corpus are typically fine-tuned on task-specific downstream datasets, which have produced state-of-the-art results on various NLP tasks. However, the data discrepancy issue…

Computation and Language · Computer Science 2022-03-23 Jiali Zeng , Yufan Jiang , Shuangzhi Wu , Yongjing Yin , Mu Li

Automatic Term Extraction (ATE) identifies domain-specific expressions that are crucial for downstream tasks such as machine translation and information retrieval. Although large language models (LLMs) have significantly advanced various…

Computation and Language · Computer Science 2025-06-27 Yongchan Chun , Minhyuk Kim , Dongjun Kim , Chanjun Park , Heuiseok Lim

Thematic analysis (TA) is widely used in health research to extract patterns from patient interviews, yet manual TA faces challenges in scalability and reproducibility. LLM-based automation can help, but existing approaches produce…

Scientific metadata are often incomplete and noncompliant with community standards, limiting dataset findability, interoperability, and reuse. When reporting guidelines exist, they typically lack machine-actionable representations.…

Machine Learning (ML) in low-data settings remains an underappreciated yet crucial problem. Hence, data augmentation methods to increase the sample size of datasets needed for ML are key to unlocking the transformative potential of ML in…

Machine Learning · Computer Science 2024-07-02 Nabeel Seedat , Nicolas Huynh , Boris van Breugel , Mihaela van der Schaar

Existing pruning techniques for large language models (LLMs) targeting domain-specific applications typically follow a two-stage process: pruning the pretrained general-purpose LLMs and then fine-tuning the pruned LLMs on specific domains.…

Computation and Language · Computer Science 2024-12-23 Lei Lu , Zhepeng Wang , Runxue Bao , Mengbing Wang , Fangyi Li , Yawen Wu , Weiwen Jiang , Jie Xu , Yanzhi Wang , Shangqian Gao

Increasing clinical trial protocol complexity, amendments, and challenges around knowledge management create significant burden for trial teams. Structuring protocol content into standard formats has the potential to improve efficiency,…

Information Retrieval · Computer Science 2026-04-20 Ramtin Babaeipour , François Charest , Madison Wright

Accurate diagnosis of Alzheimer's disease (AD) requires handling tabular biomarker data, yet such data are often small and incomplete, where deep learning models frequently fail to outperform classical methods. Pretrained large language…

Computation and Language · Computer Science 2026-03-19 Sophie Kearney , Shu Yang , Zixuan Wen , Weimin Lyu , Bojian Hou , Duy Duong-Tran , Tianlong Chen , Jason H. Moore , Marylyn D. Ritchie , Chao Chen , Li Shen

Tabular data is often hidden in text, particularly in medical diagnostic reports. Traditional machine learning (ML) models designed to work with tabular data, cannot effectively process information in such form. On the other hand, large…

Machine Learning · Computer Science 2023-06-09 Aleksa Bisercic , Mladen Nikolic , Mihaela van der Schaar , Boris Delibasic , Pietro Lio , Andrija Petrovic

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

A surge in academic publications calls for automated deep research (DR) systems, but accurately evaluating them is still an open problem. First, existing benchmarks often focus narrowly on retrieval while neglecting high-level planning and…

Computation and Language · Computer Science 2026-02-02 Zhihan Guo , Feiyang Xu , Yifan Li , Muzhi Li , Shuai Zou , Jiele Wu , Han Shi , Haoli Bai , Ho-fung Leung , Irwin King
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