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

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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Bibliographic Details
Main Authors: Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Giulio Vistoli
Format: Article
Language:English
Published: MDPI AG 2019-04-01
Series:International Journal of Molecular Sciences
Subjects:
enrichment factor
virtual screening
molecular docking
rescore
consensus strategy
Online Access:https://www.mdpi.com/1422-0067/20/9/2060

Internet

https://www.mdpi.com/1422-0067/20/9/2060

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