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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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Dettagli Bibliografici
Pubblicato in:J Cheminform
Autori principali: Zhang, Wei, Ji, Lijuan, Chen, Yanan, Tang, Kailin, Wang, Haiping, Zhu, Ruixin, Jia, Wei, Cao, Zhiwei, Liu, Qi
Natura: Artigo
Lingua:Inglês
Pubblicazione: Springer International Publishing 2015
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Accesso online: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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