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Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Language modeling has seen impressive progress over the last years, mainly prompted by the invention of the Transformer architecture, sparking a revolution in many fields of machine learning, with breakthroughs in chemistry and biology. In…

Machine Learning · Computer Science 2023-10-11 Andres M Bran , Philippe Schwaller

Natural Language Processing (NLP) helps empower intelligent machines by enhancing a better understanding of the human language for linguistic-based human-computer communication. Recent developments in computational power and the advent of…

Computation and Language · Computer Science 2021-03-02 Amirsina Torfi , Rouzbeh A. Shirvani , Yaser Keneshloo , Nader Tavaf , Edward A. Fox

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

In recent years, conventional chemistry techniques have faced significant challenges due to their inherent limitations, struggling to cope with the increasing complexity and volume of data generated in contemporary research endeavors.…

The utility and power of Natural Language Processing (NLP) seems destined to change our technological society in profound and fundamental ways. However there are, to date, few accessible descriptions of the science of NLP that have been…

Computation and Language · Computer Science 2012-09-28 Kevin Mote

The development of artificial intelligence (AI) techniques has brought revolutionary changes across various realms. In particular, the use of AI-assisted methods to accelerate chemical research has become a popular and rapidly growing…

Chemical Physics · Physics 2025-08-05 Hu Ding , Pengxiang Hua , Zhen Huang

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

The field of natural language processing has seen impressive progress in recent years, with neural network models replacing many of the traditional systems. A plethora of new models have been proposed, many of which are thought to be opaque…

Computation and Language · Computer Science 2019-01-15 Yonatan Belinkov , James Glass

Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…

Text-based representations of chemicals and proteins can be thought of as unstructured languages codified by humans to describe domain-specific knowledge. Advances in natural language processing (NLP) methodologies in the processing of…

Biomolecules · Quantitative Biology 2020-02-17 Hakime Öztürk , Arzucan Özgür , Philippe Schwaller , Teodoro Laino , Elif Ozkirimli

Advances in Natural Language Processing (NLP) have the potential to transform HR processes, from recruitment to employee management. While recent breakthroughs in NLP have generated significant interest in its industrial applications, a…

Computation and Language · Computer Science 2025-03-26 Naoki Otani , Nikita Bhutani , Estevam Hruschka

Organic chemistry is undergoing a major paradigm shift, moving from a labor-intensive approach to a new era dominated by automation and artificial intelligence (AI). This transformative shift is being driven by technological advances, the…

Artificial Intelligence · Computer Science 2023-12-05 Chengchun Liu , Yuntian Chen , Fanyang Mo

Over the last several years, the field of natural language processing has been propelled forward by an explosion in the use of deep learning models. This survey provides a brief introduction to the field and a quick overview of deep…

Computation and Language · Computer Science 2019-12-24 Daniel W. Otter , Julian R. Medina , Jugal K. Kalita

In today's software world with its cornucopia of reusable software libraries, when a programmer is faced with a programming task that they suspect can be completed through the use of a library, they often look for code examples using a…

Software Engineering · Computer Science 2021-10-08 Geert Heyman , Rafael Huysegems , Pascal Justen , Tom Van Cutsem

"Natural Language," whether spoken and attended to by humans, or processed and generated by computers, requires networked structures that reflect creative processes in semantic, syntactic, phonetic, linguistic, social, emotional, and…

Computation and Language · Computer Science 2016-06-29 Joseph Corneli , Miriam Corneli

Large language models (LLM) have revolutionized the processing of natural language. Although first benchmarks of the process modeling abilities of LLM are promising, it is currently under debate to what extent an LLM can generate good…

Computation and Language · Computer Science 2025-03-19 Peter Fettke , Constantin Houy

Generative artificial intelligence attracts significant attention, especially with the introduction of large language models. Its capabilities are being exploited to solve various software engineering tasks. Thanks to their ability to…

Software Engineering · Computer Science 2026-02-06 Lukas Radosky , Ivan Polasek

Natural Language Processing (NLP) is a key technique for developing Medical Artificial Intelligence (AI) systems that leverage Electronic Health Record (EHR) data to build diagnostic and prognostic models. NLP enables the conversion of…

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