Convolutional networks on graphs for learning molecular fingerprints

Advances in Neural Information Processing Systems

Volumn 2015-January, Issue , 2015, Pages 2224-2232

  Duvenaud, David ^a   Maclaurin, Dougal ^a   Aguilera Iparraguirre, Jorge ^a   Gómez Bombarelli, Rafael ^a   Hirzel, Timothy ^a   Aspuru Guzik, Alán ^a   Adams, Ryan P ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FEATURE EXTRACTION; INFORMATION SCIENCE; NEURAL NETWORKS;

CONVOLUTIONAL NETWORKS; CONVOLUTIONAL NEURAL NETWORK; DATA DRIVEN; END TO END; MOLECULAR FEATURE; MOLECULAR FINGERPRINT; PREDICTIVE PERFORMANCE; SIZE AND SHAPE;

CONVOLUTION;

EID: 84965159799     PISSN: 10495258     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

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