Related papers: Generative AI for Enzyme Design and Biocatalysis
Artificial intelligence (AI)-driven methods can vastly improve the historically costly drug design process, with various generative models already in widespread use. Generative models for de novo drug design, in particular, focus on the…
The design of novel protein sequences with targeted functionalities underpins a central theme in protein engineering, impacting diverse fields such as drug discovery and enzymatic engineering. However, navigating this vast combinatorial…
Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…
Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…
The recent surge in Generative Artificial Intelligence (AI) has introduced exciting possibilities for computational chemistry. Generative AI methods have made significant progress in sampling molecular structures across chemical species,…
This paper surveys foundation models for AI-enabled biological design, focusing on recent developments in applying large-scale, self-supervised models to tasks such as protein engineering, small molecule design, and genomic sequence design.…
Engineering new molecules with desirable functions and properties has the potential to extend our ability to engineer proteins beyond what nature has so far evolved. Advances in the so-called "de novo" design problem have recently been…
Deep learning approaches have produced substantial breakthroughs in fields such as image classification and natural language processing and are making rapid inroads in the area of protein design. Many generative models of proteins have been…
With the continuous advancement of technology, artificial intelligence has significantly impacted various fields, particularly healthcare. Generative models, a key AI technology, have revolutionized medical image generation, data analysis,…
Generative AI models are increasingly being integrated into human task workflows, enabling the production of expressive content across a wide range of contexts. Unlike traditional human-AI design methods, the new approach to designing…
Generative AI (GenAI) models excel in their ability to recognize patterns in existing data and generate new and unexpected content. Recent advances have motivated applications of GenAI tools (e.g., Stable Diffusion, ChatGPT) to professional…
What does it mean for a generative AI model to be explainable? The emergent discipline of explainable AI (XAI) has made great strides in helping people understand discriminative models. Less attention has been paid to generative models that…
High throughput experimentation tools, machine learning (ML) methods, and open material databases are radically changing the way new materials are discovered. From the experimentally driven approach in the past, we are moving quickly…
This paper investigates current software testing systems and explores how artificial intelligence, specifically Generative AI, can be integrated to enhance these systems. It begins by examining different types of AI systems and focuses on…
Enzymes are genetically encoded biocatalysts capable of accelerating chemical reactions. How can we automatically design functional enzymes? In this paper, we propose EnzyGen, an approach to learn a unified model to design enzymes across…
In recent years, the study of artificial intelligence (AI) has undergone a paradigm shift. This has been propelled by the groundbreaking capabilities of generative models both in supervised and unsupervised learning scenarios. Generative AI…
This review introduces the transformative potential of generative Artificial Intelligence (AI) and foundation models, including large language models (LLMs), for health technology assessment (HTA). We explore their applications in four…
Enzyme mining is rapidly evolving as a data-driven strategy to identify biocatalysts with tailored functions from the vast landscape of uncharacterized proteins. The integration of machine learning into these workflows enables…
Generative AI applications present unique design challenges. As generative AI technologies are increasingly being incorporated into mainstream applications, there is an urgent need for guidance on how to design user experiences that foster…
Generative Artificial Intelligence (Generative AI) holds significant promise in reshaping interactive systems design, yet its potential across the four key phases of human-centered design remains underexplored. This article addresses this…