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2012.08194
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Bayesian neural network with pretrained protein embedding enhances prediction accuracy of drug-protein interaction
15 December 2020
QHwan Kim
Joon-Hyuk Ko
Sunghoon Kim
Nojun Park
W. Jhe
BDL
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Papers citing
"Bayesian neural network with pretrained protein embedding enhances prediction accuracy of drug-protein interaction"
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Drug-Target Interaction/Affinity Prediction: Deep Learning Models and Advances Review
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257
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Temporal Distribution Shift in Real-World Pharmaceutical Data: Implications for Uncertainty Quantification in QSAR Models
Artificial Intelligence in the Life Sciences (AILS), 2025
Hannah Rosa Friesacher
Emma Svensson
S. Winiwarter
Lewis H. Mervin
Adam Arany
Ola Engkvist
OOD
243
3
0
06 Feb 2025
Enhancing Uncertainty Quantification in Drug Discovery with Censored Regression Labels
Emma Svensson
Hannah Rosa Friesacher
S. Winiwarter
Lewis H. Mervin
Adam Arany
Ola Engkvist
318
5
0
06 Sep 2024
Achieving Well-Informed Decision-Making in Drug Discovery: A Comprehensive Calibration Study using Neural Network-Based Structure-Activity Models
Hannah Rosa Friesacher
Ola Engkvist
Lewis H. Mervin
Yves Moreau
Adam Arany
346
3
0
19 Jul 2024
A Survey of Uncertainty in Deep Neural Networks
J. Gawlikowski
Cedrique Rovile Njieutcheu Tassi
Mohsin Ali
Jongseo Lee
Matthias Humt
...
R. Roscher
Muhammad Shahzad
Wen Yang
R. Bamler
Xiaoxiang Zhu
BDL
UQCV
OOD
686
1,678
0
07 Jul 2021
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