Molecular graph convolutions: moving beyond fingerprints 论文

2016Journal of Computer-Aided Molecular Design引用 1682
DOIArXivPDF
Machine Learning in Materials ScienceComputational Drug Discovery MethodsSurface Chemistry and Catalysis
人工智能Computational Drug Discovery MethodsMachine Learning in Materials ScienceSurface Chemistry and Catalysis
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
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Molecular graph convolutions: moving beyond fingerprints · 作者

P

Patrick Riley

V

Vijay S. Pande

M

Marc Berndl

K

Kevin McCloskey

S

Steven Kearnes