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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...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| 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 |