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2210.07145
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Accurate, reliable and interpretable solubility prediction of druglike molecules with attention pooling and Bayesian learning
29 September 2022
Seongok Ryu
Sumin Lee
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ArXiv
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Papers citing
"Accurate, reliable and interpretable solubility prediction of druglike molecules with attention pooling and Bayesian learning"
5 / 5 papers shown
Title
Understanding active learning of molecular docking and its applications
Jeonghyeon Kim
Juno Nam
Seongok Ryu
35
0
0
14 Jun 2024
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model
Jinho Chang
Jong Chul Ye
AI4CE
22
29
0
19 Nov 2022
Accelerating high-throughput virtual screening through molecular pool-based active learning
David E. Graff
E. Shakhnovich
Connor W. Coley
84
142
0
13 Dec 2020
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
172
1,775
0
02 Mar 2017
Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learning
Y. Gal
Zoubin Ghahramani
UQCV
BDL
285
9,136
0
06 Jun 2015
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