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Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set

The increase of publicly available bioactivity data in recent years has fueled and catalyzed research in chemogenomics, data mining, and modeling approaches. As a direct result, over the past few years a multitude of different methods have been reported and evaluated, such as target fishing, nearest...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Lenselink, Eelke B., ten Dijke, Niels, Bongers, Brandon, Papadatos, George, van Vlijmen, Herman W. T., Kowalczyk, Wojtek, IJzerman, Adriaan P., van Westen, Gerard J. P.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5555960/
https://ncbi.nlm.nih.gov/pubmed/29086168
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0232-0
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