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 *

161 related articles for article (PubMed ID: 38627535)

  • 1. Performance and robustness of small molecule retention time prediction with molecular graph neural networks in industrial drug discovery campaigns.
    Vik D; Pii D; Mudaliar C; Nørregaard-Madsen M; Kontijevskis A
    Sci Rep; 2024 Apr; 14(1):8733. PubMed ID: 38627535
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Prediction of Liquid Chromatographic Retention Time with Graph Neural Networks to Assist in Small Molecule Identification.
    Yang Q; Ji H; Lu H; Zhang Z
    Anal Chem; 2021 Feb; 93(4):2200-2206. PubMed ID: 33406817
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Deep graph convolutional network for small-molecule retention time prediction.
    Kang Q; Fang P; Zhang S; Qiu H; Lan Z
    J Chromatogr A; 2023 Nov; 1711():464439. PubMed ID: 37865024
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Retention time prediction in hydrophilic interaction liquid chromatography with graph neural network and transfer learning.
    Yang Q; Ji H; Fan X; Zhang Z; Lu H
    J Chromatogr A; 2021 Oct; 1656():462536. PubMed ID: 34563892
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Artificial Intelligence in ADME Property Prediction.
    Siramshetty VB; Xu X; Shah P
    Methods Mol Biol; 2024; 2714():307-327. PubMed ID: 37676606
    [TBL] [Abstract][Full Text] [Related]  

  • 7. MD-GNN: A mechanism-data-driven graph neural network for molecular properties prediction and new material discovery.
    Chen S; Wulamu A; Zou Q; Zheng H; Wen L; Guo X; Chen H; Zhang T; Zhang Y
    J Mol Graph Model; 2023 Sep; 123():108506. PubMed ID: 37182505
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Data Integration Using Advances in Machine Learning in Drug Discovery and Molecular Biology.
    Hudson IL
    Methods Mol Biol; 2021; 2190():167-184. PubMed ID: 32804365
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Predicting Infrared Spectra with Message Passing Neural Networks.
    McGill C; Forsuelo M; Guan Y; Green WH
    J Chem Inf Model; 2021 Jun; 61(6):2594-2609. PubMed ID: 34048221
    [TBL] [Abstract][Full Text] [Related]  

  • 10. The METLIN small molecule dataset for machine learning-based retention time prediction.
    Domingo-Almenara X; Guijas C; Billings E; Montenegro-Burke JR; Uritboonthai W; Aisporna AE; Chen E; Benton HP; Siuzdak G
    Nat Commun; 2019 Dec; 10(1):5811. PubMed ID: 31862874
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Retention time prediction for small samples based on integrating molecular representations and adaptive network.
    Wang X; Zheng F; Sheng M; Xu G; Lin X
    J Chromatogr B Analyt Technol Biomed Life Sci; 2023 Feb; 1217():123624. PubMed ID: 36780745
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Deep learning for retention time prediction in reversed-phase liquid chromatography.
    Fedorova ES; Matyushin DD; Plyushchenko IV; Stavrianidi AN; Buryak AK
    J Chromatogr A; 2022 Feb; 1664():462792. PubMed ID: 34999303
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge.
    Lenselink EB; Stouten PFW
    J Comput Aided Mol Des; 2021 Aug; 35(8):901-909. PubMed ID: 34273053
    [TBL] [Abstract][Full Text] [Related]  

  • 14. XGraphBoost: Extracting Graph Neural Network-Based Features for a Better Prediction of Molecular Properties.
    Deng D; Chen X; Zhang R; Lei Z; Wang X; Zhou F
    J Chem Inf Model; 2021 Jun; 61(6):2697-2705. PubMed ID: 34009965
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Deep Neural Network Pretrained by Weighted Autoencoders and Transfer Learning for Retention Time Prediction of Small Molecules.
    Ju R; Liu X; Zheng F; Lu X; Xu G; Lin X
    Anal Chem; 2021 Nov; 93(47):15651-15658. PubMed ID: 34780148
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Current trends in chromatographic prediction using artificial intelligence and machine learning.
    Singh YR; Shah DB; Kulkarni M; Patel SR; Maheshwari DG; Shah JS; Shah S
    Anal Methods; 2023 Jun; 15(23):2785-2797. PubMed ID: 37264667
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ensemble machine learning model trained on a new synthesized dataset generalizes well for stress prediction using wearable devices.
    Vos G; Trinh K; Sarnyai Z; Rahimi Azghadi M
    J Biomed Inform; 2023 Dec; 148():104556. PubMed ID: 38048895
    [TBL] [Abstract][Full Text] [Related]  

  • 18. RT-Transformer: retention time prediction for metabolite annotation to assist in metabolite identification.
    Xue J; Wang B; Ji H; Li W
    Bioinformatics; 2024 Mar; 40(3):. PubMed ID: 38402516
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Exploration of chemical space with partial labeled noisy student self-training and self-supervised graph embedding.
    Liu Y; Lim H; Xie L
    BMC Bioinformatics; 2022 May; 23(Suppl 3):158. PubMed ID: 35501680
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Costless Performance Improvement in Machine Learning for Graph-Based Molecular Analysis.
    Na GS; Kim HW; Chang H
    J Chem Inf Model; 2020 Mar; 60(3):1137-1145. PubMed ID: 31928003
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.