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2406.00873
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Scaffold Splits Overestimate Virtual Screening Performance
2 June 2024
Qianrong Guo
Saiveth Hernández-Hernández
Pedro J. Ballester
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Papers citing
"Scaffold Splits Overestimate Virtual Screening Performance"
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Title
MoleculeNet: A Benchmark for Molecular Machine Learning
Zhenqin Wu
Bharath Ramsundar
Evan N. Feinberg
Joseph Gomes
C. Geniesse
Aneesh S. Pappu
K. Leswing
Vijay S. Pande
OOD
138
1,486
0
02 Mar 2017
1
