SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules

We have made available a database of over 1 billion compounds predicted to be easily synthesizable, called Synthetically Accessible Virtual Inventory (SAVI). They have been created by a set of transforms based on an adaptation and extension of the CHMTRN/PATRAN programming languages describing chemi...

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Detalles Bibliográficos
Autores principales: Patel, Hitesh, Ihlenfeldt, Wolf-Dietrich, Judson, Philip N., Moroz, Yurii S., Pevzner, Yuri, Peach, Megan L., Delannée, Victorien, Tarasova, Nadya I., Nicklaus, Marc C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Data Descriptor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7658252/
https://www.ncbi.nlm.nih.gov/pubmed/33177514
http://dx.doi.org/10.1038/s41597-020-00727-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7658252/
https://www.ncbi.nlm.nih.gov/pubmed/33177514
http://dx.doi.org/10.1038/s41597-020-00727-4

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