A quantitative uncertainty metric controls error in neural network-driven chemical discovery 论文

2019Chemical Science引用 226顶会
DOIPDF
Machine Learning in Materials ScienceComputational Drug Discovery MethodsMetabolomics and Mass Spectrometry Studies
人工智能Computational Drug Discovery MethodsMachine Learning in Materials ScienceMetabolomics and Mass Spectrometry Studies
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
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A quantitative uncertainty metric controls error in neural network-driven chemical discovery · 作者

H

Heather J. Kulik

A

Aditya Nandy

T

Tzuhsiung Yang

C

Chenru Duan

J

Jon Paul Janet