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When drug discovery meets web search: Learning to Rank for ligand-based virtual screening

BACKGROUND: The rapid increase in the emergence of novel chemical substances presents a substantial demands for more sophisticated computational methodologies for drug discovery. In this study, the idea of Learning to Rank in web search was presented in drug virtual screening, which has the followin...

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Detalles Bibliográficos
Publicado en:J Cheminform
Main Authors: Zhang, Wei, Ji, Lijuan, Chen, Yanan, Tang, Kailin, Wang, Haiping, Zhu, Ruixin, Jia, Wei, Cao, Zhiwei, Liu, Qi
Formato: Artigo
Idioma:Inglês
Publicado: Springer International Publishing 2015
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC4333300/
https://ncbi.nlm.nih.gov/pubmed/25705262
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-015-0052-z
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