186 related articles for article (PubMed ID: 34471680)
1. Evidential Deep Learning for Guided Molecular Property Prediction and Discovery.
Soleimany AP; Amini A; Goldman S; Rus D; Bhatia SN; Coley CW
ACS Cent Sci; 2021 Aug; 7(8):1356-1367. PubMed ID: 34471680
[TBL] [Abstract][Full Text] [Related]
2. Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors.
Wang D; Wu Z; Shen C; Bao L; Luo H; Wang Z; Yao H; Kong DX; Luo C; Hou T
Brief Bioinform; 2023 Jan; 24(1):. PubMed ID: 36573494
[TBL] [Abstract][Full Text] [Related]
3. ABT-MPNN: an atom-bond transformer-based message-passing neural network for molecular property prediction.
Liu C; Sun Y; Davis R; Cardona ST; Hu P
J Cheminform; 2023 Feb; 15(1):29. PubMed ID: 36843022
[TBL] [Abstract][Full Text] [Related]
4. Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction.
Yin T; Panapitiya G; Coda ED; Saldanha EG
J Cheminform; 2023 Nov; 15(1):105. PubMed ID: 37941055
[TBL] [Abstract][Full Text] [Related]
5. Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction.
Scalia G; Grambow CA; Pernici B; Li YP; Green WH
J Chem Inf Model; 2020 Jun; 60(6):2697-2717. PubMed ID: 32243154
[TBL] [Abstract][Full Text] [Related]
6. BayeStab: Predicting effects of mutations on protein stability with uncertainty quantification.
Wang S; Tang H; Zhao Y; Zuo L
Protein Sci; 2022 Nov; 31(11):e4467. PubMed ID: 36217239
[TBL] [Abstract][Full Text] [Related]
7. Building attention and edge message passing neural networks for bioactivity and physical-chemical property prediction.
Withnall M; Lindelöf E; Engkvist O; Chen H
J Cheminform; 2020 Jan; 12(1):1. PubMed ID: 33430988
[TBL] [Abstract][Full Text] [Related]
8. Deep learning for computational chemistry.
Goh GB; Hodas NO; Vishnu A
J Comput Chem; 2017 Jun; 38(16):1291-1307. PubMed ID: 28272810
[TBL] [Abstract][Full Text] [Related]
9. Graph Neural Tree: A novel and interpretable deep learning-based framework for accurate molecular property predictions.
Zhan H; Zhu X; Qiao Z; Hu J
Anal Chim Acta; 2023 Mar; 1244():340558. PubMed ID: 36737143
[TBL] [Abstract][Full Text] [Related]
10. Assigning confidence to molecular property prediction.
Nigam A; Pollice R; Hurley MFD; Hickman RJ; Aldeghi M; Yoshikawa N; Chithrananda S; Voelz VA; Aspuru-Guzik A
Expert Opin Drug Discov; 2021 Sep; 16(9):1009-1023. PubMed ID: 34126827
[No Abstract] [Full Text] [Related]
11. Evidential Multi-Source-Free Unsupervised Domain Adaptation.
Pei J; Men A; Liu Y; Zhuang X; Chen Q
IEEE Trans Pattern Anal Mach Intell; 2024 Aug; 46(8):5288-5305. PubMed ID: 38315607
[TBL] [Abstract][Full Text] [Related]
12. Evidential meta-model for molecular property prediction.
Ham KP; Sael L
Bioinformatics; 2023 Oct; 39(10):. PubMed ID: 37847785
[TBL] [Abstract][Full Text] [Related]
13. MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction.
Zhang XC; Wu CK; Yang ZJ; Wu ZX; Yi JC; Hsieh CY; Hou TJ; Cao DS
Brief Bioinform; 2021 Nov; 22(6):. PubMed ID: 33951729
[TBL] [Abstract][Full Text] [Related]
14. Empirical validation of Conformal Prediction for trustworthy skin lesions classification.
Fayyad J; Alijani S; Najjaran H
Comput Methods Programs Biomed; 2024 Aug; 253():108231. PubMed ID: 38820714
[TBL] [Abstract][Full Text] [Related]
15. Fast uncertainty estimates in deep learning interatomic potentials.
Zhu A; Batzner S; Musaelian A; Kozinsky B
J Chem Phys; 2023 Apr; 158(16):. PubMed ID: 37102453
[TBL] [Abstract][Full Text] [Related]
16. Uncertainty-aware Health Diagnostics via Class-balanced Evidential Deep Learning.
Xia T; Dang T; Han J; Qendro L; Mascolo C
IEEE J Biomed Health Inform; 2024 Feb; PP():. PubMed ID: 38319779
[TBL] [Abstract][Full Text] [Related]
17. Relationship between prediction accuracy and uncertainty in compound potency prediction using deep neural networks and control models.
Roth JP; Bajorath J
Sci Rep; 2024 Mar; 14(1):6536. PubMed ID: 38503823
[TBL] [Abstract][Full Text] [Related]
18. Flexible Dual-Branched Message-Passing Neural Network for a Molecular Property Prediction.
Jo J; Kwak B; Lee B; Yoon S
ACS Omega; 2022 Feb; 7(5):4234-4244. PubMed ID: 35155916
[TBL] [Abstract][Full Text] [Related]
19. Region-based evidential deep learning to quantify uncertainty and improve robustness of brain tumor segmentation.
Li H; Nan Y; Del Ser J; Yang G
Neural Comput Appl; 2023; 35(30):22071-22085. PubMed ID: 37724130
[TBL] [Abstract][Full Text] [Related]
20. Pairwise Difference Regression: A Machine Learning Meta-algorithm for Improved Prediction and Uncertainty Quantification in Chemical Search.
Tynes M; Gao W; Burrill DJ; Batista ER; Perez D; Yang P; Lubbers N
J Chem Inf Model; 2021 Aug; 61(8):3846-3857. PubMed ID: 34347460
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
