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Meta-QSAR: a large-scale application of meta-learning to drug design and discovery

We investigate the learning of quantitative structure activity relationships (QSARs) as a case-study of meta-learning. This application area is of the highest societal importance, as it is a key step in the development of new medicines. The standard QSAR learning problem is: given a target (usually...

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Detalhes bibliográficos
Publicado no:Mach Learn
Main Authors: Olier, Ivan, Sadawi, Noureddin, Bickerton, G. Richard, Vanschoren, Joaquin, Grosan, Crina, Soldatova, Larisa, King, Ross D.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer US 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6956898/
https://ncbi.nlm.nih.gov/pubmed/31997851
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10994-017-5685-x
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