Learning-to-rank technique based on ignoring meaningless ranking orders between compounds

Learning-to-rank, which is a machine-learning technique for information retrieval, was recently introduced to ligand-based virtual screening to reduce the costs of developing a new drug. The quality of a rank prediction model depends on experimental data such as the compound activity values used for...

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Veröffentlicht in:	Journal of molecular graphics & modelling 2019-11, Vol.92, p.192-200
Hauptverfasser:	Ohue, Masahito, Suzuki, Shogo D., Akiyama, Yutaka
Format:	Artikel
Sprache:	eng
Schlagworte:	Ignoring meaningless order Inhibition assay data Learning-to-rank (LTR) Ligand-based virtual screening (LBVS) Stochastic gradient descent
Online-Zugang:	Volltext
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