Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods

Hepatitis C virus (HCV) is a global health challenge, affecting approximately 200 million people worldwide. In this study we developed SAR models with advanced machine learning classifiers Random Forest and k Nearest Neighbor Simulated Annealing for 679 small molecules with measured inhibition activ...

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Hauptverfasser: Weidlich, Iwona E., Filippov, Igor V., Brown, Jodian, Kaushik-Basu, Neerja, Krishnan, Ramalingam, Nicklaus, Marc C., Thorpe, Ian F.
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2013
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Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3653294/
https://ncbi.nlm.nih.gov/pubmed/23608107
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmc.2013.03.032
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