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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
RSC
2022
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| Materias: | |
| 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 |