These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

186 related articles for article (PubMed ID: 34471680)

  • 21. 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]  

  • 22. Knowledge-Embedded Message-Passing Neural Networks: Improving Molecular Property Prediction with Human Knowledge.
    Hasebe T
    ACS Omega; 2021 Oct; 6(42):27955-27967. PubMed ID: 34722995
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks.
    Cortés-Ciriano I; Bender A
    J Chem Inf Model; 2019 Mar; 59(3):1269-1281. PubMed ID: 30336009
    [TBL] [Abstract][Full Text] [Related]  

  • 24. The message passing neural networks for chemical property prediction on SMILES.
    Jo J; Kwak B; Choi HS; Yoon S
    Methods; 2020 Jul; 179():65-72. PubMed ID: 32445695
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Artificial intelligence to deep learning: machine intelligence approach for drug discovery.
    Gupta R; Srivastava D; Sahu M; Tiwari S; Ambasta RK; Kumar P
    Mol Divers; 2021 Aug; 25(3):1315-1360. PubMed ID: 33844136
    [TBL] [Abstract][Full Text] [Related]  

  • 26. QSAR modeling without descriptors using graph convolutional neural networks: the case of mutagenicity prediction.
    Hung C; Gini G
    Mol Divers; 2021 Aug; 25(3):1283-1299. PubMed ID: 34146224
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Application of message passing neural networks for molecular property prediction.
    Tang M; Li B; Chen H
    Curr Opin Struct Biol; 2023 Aug; 81():102616. PubMed ID: 37267824
    [TBL] [Abstract][Full Text] [Related]  

  • 28. HimGNN: a novel hierarchical molecular graph representation learning framework for property prediction.
    Han S; Fu H; Wu Y; Zhao G; Song Z; Huang F; Zhang Z; Liu S; Zhang W
    Brief Bioinform; 2023 Sep; 24(5):. PubMed ID: 37594313
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models.
    Jiang D; Wu Z; Hsieh CY; Chen G; Liao B; Wang Z; Shen C; Cao D; Wu J; Hou T
    J Cheminform; 2021 Feb; 13(1):12. PubMed ID: 33597034
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Current directions in combining simulation-based macromolecular modeling approaches with deep learning.
    Mulligan VK
    Expert Opin Drug Discov; 2021 Sep; 16(9):1025-1044. PubMed ID: 33993816
    [No Abstract]   [Full Text] [Related]  

  • 31. Bayesian semi-supervised learning for uncertainty-calibrated prediction of molecular properties and active learning.
    Zhang Y; Lee AA
    Chem Sci; 2019 Sep; 10(35):8154-8163. PubMed ID: 31857882
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Uncertainty Quantification Using Neural Networks for Molecular Property Prediction.
    Hirschfeld L; Swanson K; Yang K; Barzilay R; Coley CW
    J Chem Inf Model; 2020 Aug; 60(8):3770-3780. PubMed ID: 32702986
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions.
    Antoniuk ER; Li P; Kailkhura B; Hiszpanski AM
    J Chem Inf Model; 2022 Nov; 62(22):5435-5445. PubMed ID: 36315033
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification.
    Zhang Y; Menke J; He J; Nittinger E; Tyrchan C; Koch O; Zhao H
    J Cheminform; 2023 Aug; 15(1):75. PubMed ID: 37649050
    [TBL] [Abstract][Full Text] [Related]  

  • 35. SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation.
    McGibbon M; Money-Kyrle S; Blay V; Houston DR
    J Adv Res; 2023 Apr; 46():135-147. PubMed ID: 35901959
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Multi-fidelity prediction of molecular optical peaks with deep learning.
    Greenman KP; Green WH; Gómez-Bombarelli R
    Chem Sci; 2022 Jan; 13(4):1152-1162. PubMed ID: 35211282
    [TBL] [Abstract][Full Text] [Related]  

  • 37. How Sure Can We Be about ML Methods-Based Evaluation of Compound Activity: Incorporation of Information about Prediction Uncertainty Using Deep Learning Techniques.
    Sieradzki I; Leśniak D; Podlewska S
    Molecules; 2020 Mar; 25(6):. PubMed ID: 32210186
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Chemprop: A Machine Learning Package for Chemical Property Prediction.
    Heid E; Greenman KP; Chung Y; Li SC; Graff DE; Vermeire FH; Wu H; Green WH; McGill CJ
    J Chem Inf Model; 2024 Jan; 64(1):9-17. PubMed ID: 38147829
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Information Aware max-norm Dirichlet networks for predictive uncertainty estimation.
    Tsiligkaridis T
    Neural Netw; 2021 Mar; 135():105-114. PubMed ID: 33383525
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Message-passing neural networks for high-throughput polymer screening.
    St John PC; Phillips C; Kemper TW; Wilson AN; Guan Y; Crowley MF; Nimlos MR; Larsen RE
    J Chem Phys; 2019 Jun; 150(23):234111. PubMed ID: 31228909
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.