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2002.02530
Cited By
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"
4 / 4 papers shown
Title
Enhancing selectivity using Wasserstein distance based reweighing
Pratik Worah
OOD
48
0
0
21 Jan 2024
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded Libraries
Kirill Shmilovich
Benson Chen
Theofanis Karaletos
Mohammad M. Sultan
11
12
0
30 Nov 2022
A graph representation of molecular ensembles for polymer property prediction
Matteo Aldeghi
Connor W. Coley
AI4CE
19
41
0
17 May 2022
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
169
1,775
0
02 Mar 2017
1