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Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design

Inverse molecular design involves algorithms that sample molecules with specific target properties from a multitude of candidates and can be posed as an optimization problem. High-dimensional optimization tasks in the natural sciences are commonly tackled via population-based metaheuristic optimizat...

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Detalles Bibliográficos
Autores principales:	Nigam, AkshatKumar, Pollice, Robert, Aspuru-Guzik, Alán
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	RSC 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9358752/ https://www.ncbi.nlm.nih.gov/pubmed/36091415 http://dx.doi.org/10.1039/d2dd00003b

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