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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Publié dans:Molecules
Auteurs principaux: Klingler, Franca-Maria, Gastreich, Marcus, Grygorenko, Oleksandr O., Savych, Olena, Borysko, Petro, Griniukova, Anastasia, Gubina, Kateryna E., Lemmen, Christian, Moroz, Yurii S.
Format: Artigo
Langue:Inglês
Publié: MDPI 2019
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Article
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6749418/
https://ncbi.nlm.nih.gov/pubmed/31454992
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24173096
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