MoleculeNet: a benchmark for molecular machine learning

Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular properties. However, algorithmic progress has been limited due to the...

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Detalles Bibliográficos
Autores principales: Wu, Zhenqin, Ramsundar, Bharath, Feinberg, Evan N., Gomes, Joseph, Geniesse, Caleb, Pappu, Aneesh S., Leswing, Karl, Pande, Vijay
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2017
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5868307/
https://www.ncbi.nlm.nih.gov/pubmed/29629118
http://dx.doi.org/10.1039/c7sc02664a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5868307/
https://www.ncbi.nlm.nih.gov/pubmed/29629118
http://dx.doi.org/10.1039/c7sc02664a

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