SAR by Space: Enriching Hit Sets from the Chemical Space

We introduce SAR by Space, a concept to drastically accelerate structure-activity relationship (SAR) elucidation by synthesizing neighboring compounds that originate from vast chemical spaces. The space navigation is accomplished within minutes on affordable standard computer hardware using a tree-b...

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Detalles Bibliográficos
Autores principales: Klingler, Franca-Maria, Gastreich, Marcus, Grygorenko, Oleksandr O., Savych, Olena, Borysko, Petro, Griniukova, Anastasia, Gubina, Kateryna E., Lemmen, Christian, Moroz, Yurii S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6749418/
https://www.ncbi.nlm.nih.gov/pubmed/31454992
http://dx.doi.org/10.3390/molecules24173096

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6749418/
https://www.ncbi.nlm.nih.gov/pubmed/31454992
http://dx.doi.org/10.3390/molecules24173096

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