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Multi-Descriptor Read Across (MuDRA): a simple and transparent approach for developing accurate QSAR models

Multiple approaches to QSAR modeling using various statistical or machine learning techniques and different types of chemical descriptors have been developed over the years. Oftentimes models are used in consensus to make more accurate predictions at the expense of model interpretation. We propose a...

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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: Alves, Vinicius M., Golbraikh, Alexander, Capuzzi, Stephen J., Liu, Kammy, Lam, Wai In, Korn, Daniel Robert, Pozefsky, Diane, Andrade, Carolina Horta, Muratov, Eugene N., Tropsha, Alexander
Formato: Artigo
Idioma:Inglês
Publicado em: 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7917006/
https://ncbi.nlm.nih.gov/pubmed/29809005
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00124
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