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...

Descripción completa

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

Internet

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

Ejemplares similares