MoleculeNet: a benchmark for molecular machine learning.

Wu, Zhenqin; Ramsundar, Bharath; Feinberg, Evan N; Gomes, Joseph; Geniesse, Caleb; Pappu, Aneesh S; Leswing, Karl; Pande, Vijay

Wu, Zhenqin; Ramsundar, Bharath; Feinberg, Evan N; Gomes, Joseph; Geniesse, Caleb; Pappu, Aneesh S; Leswing, Karl; Pande, Vijay.

Afiliación

Wu Z; Department of Chemistry , Stanford University , Stanford , CA 94305 , USA . Email: pande@stanford.edu.
Ramsundar B; Department of Computer Science , Stanford University , Stanford , CA 94305 , USA.
Feinberg EN; Program in Biophysics , Stanford School of Medicine , Stanford , CA 94305 , USA.
Gomes J; Department of Chemistry , Stanford University , Stanford , CA 94305 , USA . Email: pande@stanford.edu.
Geniesse C; Program in Biophysics , Stanford School of Medicine , Stanford , CA 94305 , USA.
Pappu AS; Department of Computer Science , Stanford University , Stanford , CA 94305 , USA.
Leswing K; Schrodinger Inc. , USA.
Pande V; Department of Chemistry , Stanford University , Stanford , CA 94305 , USA . Email: pande@stanford.edu.

Chem Sci ; 9(2): 513-530, 2018 Jan 14.

Article en En | MEDLINE | ID: mdl-29629118

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chem Sci Año: 2018 Tipo del documento: Article Pais de publicación: Reino Unido

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