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Application of the 4D Fingerprint Method with a Robust Scoring Function for Scaffold-Hopping and Drug Repurposing Strategies

[Image: see text] Two factors contribute to the inefficiency associated with screening pharmaceutical library collections as a means of identifying new drugs: [1] the limited success of virtual screening (VS) methods in identifying new scaffolds; [2] the limited accuracy of computational methods in...

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Hlavní autoři: Hamza, Adel, Wagner, Jonathan M., Wei, Ning-Ning, Kwiatkowski, Stefan, Zhan, Chang-Guo, Watt, David S., Korotkov, Konstantin V.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2014
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4210175/
https://ncbi.nlm.nih.gov/pubmed/25229183
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci5003872
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