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Rescoring and Linearly Combining: A Highly Effective Consensus Strategy for Virtual Screening Campaigns

The study proposes a novel consensus strategy based on linear combinations of different docking scores to be used in the evaluation of virtual screening campaigns. The consensus models are generated by applying the recently proposed Enrichment Factor Optimization (EFO) method, which develops the lin...

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Vydáno v:Int J Mol Sci
Hlavní autoři: Pedretti, Alessandro, Mazzolari, Angelica, Gervasoni, Silvia, Vistoli, Giulio
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI 2019
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6540224/
https://ncbi.nlm.nih.gov/pubmed/31027337
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms20092060
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