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 *

133 related articles for article (PubMed ID: 38602390)

  • 1. Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis.
    Westerlund AM; Manohar Koki S; Kancharla S; Tibo A; Saigiridharan L; Kabeshov M; Mercado R; Genheden S
    J Chem Inf Model; 2024 Apr; 64(8):3021-3033. PubMed ID: 38602390
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Multistep retrosynthesis combining a disconnection aware triple transformer loop with a route penalty score guided tree search.
    Kreutter D; Reymond JL
    Chem Sci; 2023 Sep; 14(36):9959-9969. PubMed ID: 37736648
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment.
    Zeng K; Yang B; Zhao X; Zhang Y; Nie F; Yang X; Jin Y; Xu Y
    J Cheminform; 2024 Jul; 16(1):80. PubMed ID: 39010144
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Challenging Complexity with Simplicity: Rethinking the Role of Single-Step Models in Computer-Aided Synthesis Planning.
    Li J; Lin K; Pei J; Lai L
    J Chem Inf Model; 2024 Jul; 64(14):5470-5479. PubMed ID: 38940765
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Transfer Learning: Making Retrosynthetic Predictions Based on a Small Chemical Reaction Dataset Scale to a New Level.
    Bai R; Zhang C; Wang L; Yao C; Ge J; Duan H
    Molecules; 2020 May; 25(10):. PubMed ID: 32438572
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Harnessing Data Augmentation and Normalization Preprocessing to Improve the Performance of Chemical Reaction Predictions of Data-Driven Model.
    Zhang B; Lin J; Du L; Zhang L
    Polymers (Basel); 2023 May; 15(9):. PubMed ID: 37177370
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention.
    Chen S; Jung Y
    JACS Au; 2021 Oct; 1(10):1612-1620. PubMed ID: 34723264
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Chemoenzymatic multistep retrosynthesis with transformer loops.
    Kreutter D; Reymond JL
    Chem Sci; 2024 Oct; 15(43):18031-47. PubMed ID: 39416295
    [TBL] [Abstract][Full Text] [Related]  

  • 9. CTsynther: Contrastive Transformer model for end-to-end retrosynthesis prediction.
    Lu H; Wei Z; Zhang K; Wang X; Ali L; Liu H
    IEEE/ACM Trans Comput Biol Bioinform; 2024 Sep; PP():. PubMed ID: 39240741
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks.
    Zheng S; Rao J; Zhang Z; Xu J; Yang Y
    J Chem Inf Model; 2020 Jan; 60(1):47-55. PubMed ID: 31825611
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy.
    Schwaller P; Petraglia R; Zullo V; Nair VH; Haeuselmann RA; Pisoni R; Bekas C; Iuliano A; Laino T
    Chem Sci; 2020 Mar; 11(12):3316-3325. PubMed ID: 34122839
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecular Transformer unifies reaction prediction and retrosynthesis across pharma chemical space.
    Lee AA; Yang Q; Sresht V; Bolgar P; Hou X; Klug-McLeod JL; Butler CR
    Chem Commun (Camb); 2019 Oct; 55(81):12152-12155. PubMed ID: 31497831
    [TBL] [Abstract][Full Text] [Related]  

  • 13. RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction.
    Yan C; Zhao P; Lu C; Yu Y; Huang J
    Biomolecules; 2022 Sep; 12(9):. PubMed ID: 36139164
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Influence of Template Size, Canonicalization, and Exclusivity for Retrosynthesis and Reaction Prediction Applications.
    Heid E; Liu J; Aude A; Green WH
    J Chem Inf Model; 2022 Jan; 62(1):16-26. PubMed ID: 34939786
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks.
    Seidl P; Renz P; Dyubankova N; Neves P; Verhoeven J; Wegner JK; Segler M; Hochreiter S; Klambauer G
    J Chem Inf Model; 2022 May; 62(9):2111-2120. PubMed ID: 35034452
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Similarity based enzymatic retrosynthesis.
    Sankaranarayanan K; Heid E; Coley CW; Verma D; Green WH; Jensen KF
    Chem Sci; 2022 May; 13(20):6039-6053. PubMed ID: 35685792
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Retrosynthesis prediction using an end-to-end graph generative architecture for molecular graph editing.
    Zhong W; Yang Z; Chen CY
    Nat Commun; 2023 May; 14(1):3009. PubMed ID: 37230985
    [TBL] [Abstract][Full Text] [Related]  

  • 18. RetroRanker: leveraging reaction changes to improve retrosynthesis prediction through re-ranking.
    Li J; Fang L; Lou JG
    J Cheminform; 2023 Jun; 15(1):58. PubMed ID: 37291642
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Radical Retrosynthesis.
    Smith JM; Harwood SJ; Baran PS
    Acc Chem Res; 2018 Aug; 51(8):1807-1817. PubMed ID: 30070821
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Automatic retrosynthetic route planning using template-free models.
    Lin K; Xu Y; Pei J; Lai L
    Chem Sci; 2020 Mar; 11(12):3355-3364. PubMed ID: 34122843
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.