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Cheminformatics tools for analyzing and designing optimized small molecule collections and libraries

Libraries of well-annotated small molecules have many uses in chemical genetics, drug discovery and therapeutic repurposing. Multiple libraries are available, but few data-driven approaches exist to compare them and design new libraries. We describe an approach to scoring and creating libraries base...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:Cell Chem Biol
Main Authors: Moret, Nienke, Clark, Nicholas A., Hafner, Marc, Wang, Yuan, Lounkine, Eugen, Medvedovic, Mario, Wang, Jinhua, Gray, Nathanael, Jenkins, Jeremy, Sorger, Peter K.
Format: Artigo
Jezik:Inglês
Izdano: 2019
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC6526536/
https://ncbi.nlm.nih.gov/pubmed/30956147
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.chembiol.2019.02.018
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