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Machine learning on DNA-encoded libraries: A new paradigm for
  hit-finding

Machine learning on DNA-encoded libraries: A new paradigm for hit-finding

31 January 2020
Kevin McCloskey
E. Sigel
S. Kearnes
L. Xue
Xia Tian
D. Moccia
Diana Gikunju
Sana Bazzaz
B. Chan
M. Clark
J. Cuozzo
Marie-Aude Guié
J. Guilinger
Christelle Huguet
C. Hupp
Anthony D. Keefe
Christopher J. Mulhern
Ying Zhang
Patrick F. Riley
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Papers citing "Machine learning on DNA-encoded libraries: A new paradigm for hit-finding"

2 / 2 papers shown
Title
Enhancing selectivity using Wasserstein distance based reweighing
Enhancing selectivity using Wasserstein distance based reweighing
Pratik Worah
OOD
40
0
0
21 Jan 2024
MoleculeNet: A Benchmark for Molecular Machine Learning
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
152
1,748
0
02 Mar 2017
1