Multi-task learning with a natural metric for quantitative structure activity relationship learning

The goal of quantitative structure activity relationship (QSAR) learning is to learn a function that, given the structure of a small molecule (a potential drug), outputs the predicted activity of the compound. We employed multi-task learning (MTL) to exploit commonalities in drug targets and assays....

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Bibliografiske detaljer
Udgivet i:J Cheminform
Main Authors: Sadawi, Noureddin, Olier, Ivan, Vanschoren, Joaquin, van Rijn, Jan N., Besnard, Jeremy, Bickerton, Richard, Grosan, Crina, Soldatova, Larisa, King, Ross D.
Format: Artigo
Sprog:Inglês
Udgivet: Springer International Publishing 2019
Fag:
Research Article
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6852942/
https://ncbi.nlm.nih.gov/pubmed/33430958
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0392-1
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