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Multi-objective de novo drug design with conditional graph generative model
Recently, deep generative models have revealed itself as a promising way of performing de novo molecule design. However, previous research has focused mainly on generating SMILES strings instead of molecular graphs. Although available, current graph generative models are are often too general and co...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6057868/ https://www.ncbi.nlm.nih.gov/pubmed/30043127 http://dx.doi.org/10.1186/s13321-018-0287-6 |