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...

Descripción completa

Detalles Bibliográficos
Autores principales: 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: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5555960/
https://www.ncbi.nlm.nih.gov/pubmed/29086168
http://dx.doi.org/10.1186/s13321-017-0232-0

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5555960/
https://www.ncbi.nlm.nih.gov/pubmed/29086168
http://dx.doi.org/10.1186/s13321-017-0232-0

Ejemplares similares