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GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design

[Image: see text] This study introduces a new de novo design algorithm called GENERA that combines the capabilities of a deep-learning algorithm for automated drug-like analogue design, called DeLA-Drug, with a genetic algorithm for generating molecules with desired target-oriented properties. Speci...

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Detalles Bibliográficos
Autores principales:	Lamanna, Giuseppe, Delre, Pietro, Marcou, Gilles, Saviano, Michele, Varnek, Alexandre, Horvath, Dragos, Mangiatordi, Giuseppe Felice
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10466378/ https://www.ncbi.nlm.nih.gov/pubmed/37556857 http://dx.doi.org/10.1021/acs.jcim.3c00963

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