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An equivariant generative framework for molecular graph-structure Co-design
Designing molecules with desirable physiochemical properties and functionalities is a long-standing challenge in chemistry, material science, and drug discovery. Recently, machine learning-based generative models have emerged as promising approaches for de novo molecule design. However, further refi...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10411624/ https://www.ncbi.nlm.nih.gov/pubmed/37564414 http://dx.doi.org/10.1039/d3sc02538a |