RESUMO

With their diverse biological activities, peptides are promising candidates for therapeutic applications, showing antimicrobial, antitumour and hormonal signalling capabilities. Despite their advantages, therapeutic peptides face challenges such as short half-life, limited oral bioavailability and susceptibility to plasma degradation. The rise of computational tools and artificial intelligence (AI) in peptide research has spurred the development of advanced methodologies and databases that are pivotal in the exploration of these complex macromolecules. This perspective delves into integrating AI in peptide development, encompassing classifier methods, predictive systems and the avant-garde design facilitated by deep-generative models like generative adversarial networks and variational autoencoders. There are still challenges, such as the need for processing optimization and careful validation of predictive models. This work outlines traditional strategies for machine learning model construction and training techniques and proposes a comprehensive AI-assisted peptide design and validation pipeline. The evolving landscape of peptide design using AI is emphasized, showcasing the practicality of these methods in expediting the development and discovery of novel peptides within the context of peptide-based drug discovery.

Assuntos

Inteligência Artificial , Descoberta de Drogas , Peptídeos , Peptídeos/química , Peptídeos/uso terapêutico , Peptídeos/farmacologia , Descoberta de Drogas/métodos , Humanos , Desenho de Fármacos , Aprendizado de Máquina , Biologia Computacional/métodos

RESUMO

In this study, we investigate the application of generative models to assist artificial agents, such as delivery drones or service robots, in visualising unfamiliar destinations solely based on textual descriptions. We explore the use of generative models, such as Stable Diffusion, and embedding representations, such as CLIP and VisualBERT, to compare generated images obtained from textual descriptions of target scenes with images of those scenes. Our research encompasses three key strategies: image generation, text generation, and text enhancement, the latter involving tools such as ChatGPT to create concise textual descriptions for evaluation. The findings of this study contribute to an understanding of the impact of combining generative tools with multi-modal embedding representations to enhance the artificial agent's ability to recognise unknown scenes. Consequently, we assert that this research holds broad applications, particularly in drone parcel delivery, where an aerial robot can employ text descriptions to identify a destination. Furthermore, this concept can also be applied to other service robots tasked with delivering to unfamiliar locations, relying exclusively on user-provided textual descriptions.

RESUMO

Deep learning, one of the fastest-growing branches of artificial intelligence, has become one of the most relevant research and development areas of the last years, especially since 2012, when a neural network surpassed the most advanced image classification techniques of the time. This spectacular development has not been alien to the world of the arts, as recent advances in generative networks have made possible the artificial creation of high-quality content such as images, movies or music. We believe that these novel generative models propose a great challenge to our current understanding of computational creativity. If a robot can now create music that an expert cannot distinguish from music composed by a human, or create novel musical entities that were not known at training time, or exhibit conceptual leaps, does it mean that the machine is then creative? We believe that the emergence of these generative models clearly signals that much more research needs to be done in this area. We would like to contribute to this debate with two case studies of our own: TimbreNet, a variational auto-encoder network trained to generate audio-based musical chords, and StyleGAN Pianorolls, a generative adversarial network capable of creating short musical excerpts, despite the fact that it was trained with images and not musical data. We discuss and assess these generative models in terms of their creativity and we show that they are in practice capable of learning musical concepts that are not obvious based on the training data, and we hypothesize that these deep models, based on our current understanding of creativity in robots and machines, can be considered, in fact, creative.