Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening 论文

2019PLoS ONE引用 265顶会
DOIPDF
Computational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science
人工智能Protein Structure and DynamicsComputational Drug Discovery MethodsMachine Learning in Materials Science
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
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Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening · 作者

T

Tom Kurtzman

D

David Ryan Koes

V

Viktor Horn̆ák

J

José S. Duca

C

Callum J. Dickson

S

Steven Ramsey

A

Anthony Cruz

L

Lieyang Chen