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,...

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Detalles Bibliográficos
Autores principales: Bjerrum, Esben Jannik, Sattarov, Boris
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316879/
https://www.ncbi.nlm.nih.gov/pubmed/30380783
http://dx.doi.org/10.3390/biom8040131

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