Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/80098
Título: | Variational autoencoders and evolutionary algorithms for targeted novel enzyme design |
Autor(es): | Martins, Miguel Rocha, Miguel Pereira, Vítor |
Palavras-chave: | Deep Learning Generative Models Protein Design Evolutionary Algorithms Novel Proteins |
Data: | 18-Jul-2022 |
Editora: | IEEE |
Citação: | Martins, Miguel; Rocha, Miguel; Pereira, Vítor, Variational autoencoders and evolutionary algorithms for targeted novel enzyme design. CEC 2022 - IEEE Congress on Evolutionary Computation. Padua, Italy, July 18-23, 1-8, 2022. |
Resumo(s): | Recent developments in Generative Deep Learning have fostered new engineering methods for protein design. Although deep generative models trained on protein sequence can learn biologically meaningful representations, the design of proteins with optimised properties remains a challenge. We combined deep learning architectures with evolutionary computation to steer the protein generative process towards specific sets of properties to address this problem. The latent space of a Variational Autoencoder is explored by evolutionary algorithms to find the best candidates. A set of single-objective and multi-objective problems were conceived to evaluate the algorithms' capacity to optimise proteins. The optimisation tasks consider the average proteins' hydrophobicity, their solubility and the probability of being generated by a defined functional Hidden Markov Model profile. The results show that Evolutionary Algorithms can achieve good results while allowing for more variability in the design of the experiment, thus resulting in a much greater set of possibly functional novel proteins. |
Tipo: | Artigo em ata de conferência |
URI: | https://hdl.handle.net/1822/80098 |
ISBN: | 9781665467087 |
DOI: | 10.1109/CEC55065.2022.9870421 |
Versão da editora: | https://wcci2022.org/ |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CEB - Artigos em Livros de Atas / Papers in Proceedings |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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document_55801_1.pdf | 1,38 MB | Adobe PDF | Ver/Abrir |