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Computer-aided multi-objective optimization in small molecule discovery
Molecular discovery is a multi-objective optimization problem that requires identifying a molecule or set of molecules that balance multiple, often competing, properties. Multi-objective molecular design is commonly addressed by combining properties of interest into a single objective function using...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Elsevier
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9982302/ https://www.ncbi.nlm.nih.gov/pubmed/36873904 http://dx.doi.org/10.1016/j.patter.2023.100678 |