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Related papers: Exploring Chemical Space using Natural Language Pr…

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The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecules, proteins or polymers. In chemistry, language models…

Chemical Physics · Physics 2024-10-22 Nikita Janakarajan , Tim Erdmann , Sarath Swaminathan , Teodoro Laino , Jannis Born

The mathematical representation of semantics is a key issue for Natural Language Processing (NLP). A lot of research has been devoted to finding ways of representing the semantics of individual words in vector spaces. Distributional…

Computation and Language · Computer Science 2014-11-13 Karl Moritz Hermann

The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding disease mechanisms, facilitating drug discovery, and optimizing…

Quantitative Methods · Quantitative Biology 2024-09-10 Yizhen Zheng , Huan Yee Koh , Maddie Yang , Li Li , Lauren T. May , Geoffrey I. Webb , Shirui Pan , George Church

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI's GPT-3.5/4 and the recent…

Materials Science · Physics 2025-04-22 Zongrui Pei , Junqi Yin , Jiaxin Zhang

Natural language processing (NLP) research combines the study of universal principles, through basic science, with applied science targeting specific use cases and settings. However, the process of exchange between basic NLP and…

Computation and Language · Computer Science 2021-04-19 Denis Newman-Griffis , Jill Fain Lehman , Carolyn Rosé , Harry Hochheiser

Linguistic typology aims to capture structural and semantic variation across the world's languages. A large-scale typology could provide excellent guidance for multilingual Natural Language Processing (NLP), particularly for languages that…

Computation and Language · Computer Science 2020-10-28 Edoardo Maria Ponti , Helen O'Horan , Yevgeni Berzak , Ivan Vulić , Roi Reichart , Thierry Poibeau , Ekaterina Shutova , Anna Korhonen

Objectives: The vast and complex nature of human genomic sequencing data presents challenges for effective analysis. This review aims to investigate the application of Natural Language Processing (NLP) techniques, particularly Large…

Genomics · Quantitative Biology 2025-02-28 Shuyan Cheng , Yishu Wei , Yiliang Zhou , Zihan Xu , Drew N Wright , Jinze Liu , Yifan Peng

Deep learning bears promise for drug discovery, including advanced image analysis, prediction of molecular structure and function, and automated generation of innovative chemical entities with bespoke properties. Despite the growing number…

Artificial Intelligence · Computer Science 2020-07-03 José Jiménez-Luna , Francesca Grisoni , Gisbert Schneider

Cardiovascular diseases are becoming increasingly prevalent in modern society, with a profound impact on global health and well-being. These Cardiovascular disorders are complex and multifactorial, influenced by genetic predispositions,…

Computation and Language · Computer Science 2025-10-23 Kailai Yang , Yan Leng , Xin Zhang , Tianlin Zhang , Paul Thompson , Bernard Keavney , Maciej Tomaszewski , Sophia Ananiadou

Text classification stands as a cornerstone within the realm of Natural Language Processing (NLP), particularly when viewed through computer science and engineering. The past decade has seen deep learning revolutionize text classification,…

Computation and Language · Computer Science 2025-04-23 Marco Siino , Ilenia Tinnirello , Marco La Cascia

[Abridged Abstract] Recent technological advances underscore labor market dynamics, yielding significant consequences for employment prospects and increasing job vacancy data across platforms and languages. Aggregating such data holds…

Computation and Language · Computer Science 2024-05-01 Mike Zhang

In this work, we present the ChemNLP library that can be used for 1) curating open access datasets for materials and chemistry literature, developing and comparing traditional machine learning, transformers and graph neural network models…

Materials Science · Physics 2024-02-19 Kamal Choudhary , Mathew L. Kelley

The 21st century is presenting humankind with unprecedented environmental and medical challenges. The ability to design novel proteins tailored for specific purposes could transform our ability to respond timely to these issues. Recent…

Biomolecules · Quantitative Biology 2022-08-24 Noelia Ferruz , Birte Höcker

Evidence-based medicine (EBM) is at the forefront of modern healthcare, emphasizing the use of the best available scientific evidence to guide clinical decisions. Due to the sheer volume and rapid growth of medical literature and the high…

Computation and Language · Computer Science 2025-05-29 Zihan Xu , Haotian Ma , Gongbo Zhang , Yihao Ding , Chunhua Weng , Yifan Peng

The explosion of scientific publications overloads researchers with information. This is even more dramatic for interdisciplinary studies, where several fields need to be explored. A tool to help researchers overcome this is Natural…

Computation and Language · Computer Science 2022-11-18 Corentin van den Broek d'Obrenan , Frédéric Galliano , Jeremy Minton , Viktor Botev , Ronin Wu

Natural Language Processing (NLP) aims to analyze text or speech via techniques in the computer science field. It serves applications in the domains of healthcare, commerce, education, and so on. Particularly, NLP has been widely applied to…

Computation and Language · Computer Science 2025-10-14 Yunshi Lan , Xinyuan Li , Hanyue Du , Xuesong Lu , Ming Gao , Weining Qian , Aoying Zhou

Abundant and diverse data on medicines manufacturing and other lifecycle components has been made easily accessible in the last decades. However, a significant proportion of this information is characterised by not being tabulated and…

Information Retrieval · Computer Science 2025-05-02 Diego Alvarado-Maldonado , Blair Johnston , Cameron J. Brown

The drug development process necessitates that pharmacologists undertake various tasks, such as reviewing literature, formulating hypotheses, designing experiments, and interpreting results. Each stage requires accessing and querying vast…

Computation and Language · Computer Science 2023-08-01 Hong Lu , Chuan Li , Yinheng Li , Jie Zhao

Deep Learning methods employ multiple processing layers to learn hierarchial representations of data. They have already been deployed in a humongous number of applications and have produced state-of-the-art results. Recently with the growth…

Computation and Language · Computer Science 2018-08-15 Sarvesh Patil

Patents, which encapsulate crucial technical and legal information in text form and referenced drawings, present a rich domain for natural language processing (NLP) applications. As NLP technologies evolve, large language models (LLMs) have…

Artificial Intelligence · Computer Science 2025-04-24 Lekang Jiang , Stephan Goetz