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Improving Chemical Autoencoder Latent Space and Molecular De Novo Generation Diversity with Heteroencoders
Chemical autoencoders are attractive models as they combine chemical space navigation with possibilities for de novo molecule generation in areas of interest. This enables them to produce focused chemical libraries around a single lead compound for employment early in a drug discovery project. Here,...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316879/ https://www.ncbi.nlm.nih.gov/pubmed/30380783 http://dx.doi.org/10.3390/biom8040131 |