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Journal Abstract Search

303 related items for PubMed ID: 33301333

  • 21. GRELinker: A Graph-Based Generative Model for Molecular Linker Design with Reinforcement and Curriculum Learning.
    Zhang H, Huang J, Xie J, Huang W, Yang Y, Xu M, Lei J, Chen H.
    J Chem Inf Model; 2024 Feb 12; 64(3):666-676. PubMed ID: 38241022
    [Abstract] [Full Text] [Related]

  • 22. FSM-DDTR: End-to-end feedback strategy for multi-objective De Novo drug design using transformers.
    Monteiro NRC, Pereira TO, Machado ACD, Oliveira JL, Abbasi M, Arrais JP.
    Comput Biol Med; 2023 Sep 12; 164():107285. PubMed ID: 37557054
    [Abstract] [Full Text] [Related]

  • 23. Magicmol: a light-weighted pipeline for drug-like molecule evolution and quick chemical space exploration.
    Chen L, Shen Q, Lou J.
    BMC Bioinformatics; 2023 Apr 26; 24(1):173. PubMed ID: 37101113
    [Abstract] [Full Text] [Related]

  • 24. De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization.
    Domenico A, Nicola G, Daniela T, Fulvio C, Nicola A, Orazio N.
    J Chem Inf Model; 2020 Oct 26; 60(10):4582-4593. PubMed ID: 32845150
    [Abstract] [Full Text] [Related]

  • 25. DeepScaffold: A Comprehensive Tool for Scaffold-Based De Novo Drug Discovery Using Deep Learning.
    Li Y, Hu J, Wang Y, Zhou J, Zhang L, Liu Z.
    J Chem Inf Model; 2020 Jan 27; 60(1):77-91. PubMed ID: 31809029
    [Abstract] [Full Text] [Related]

  • 26. Reinforced Adversarial Neural Computer for de Novo Molecular Design.
    Putin E, Asadulaev A, Ivanenkov Y, Aladinskiy V, Sanchez-Lengeling B, Aspuru-Guzik A, Zhavoronkov A.
    J Chem Inf Model; 2018 Jun 25; 58(6):1194-1204. PubMed ID: 29762023
    [Abstract] [Full Text] [Related]

  • 27. Effective Reaction-Based De Novo Strategy for Kinase Targets: A Case Study on MERTK Inhibitors.
    Hua Y, Fang X, Xing G, Xu Y, Liang L, Deng C, Dai X, Liu H, Lu T, Zhang Y, Chen Y.
    J Chem Inf Model; 2022 Apr 11; 62(7):1654-1668. PubMed ID: 35353505
    [Abstract] [Full Text] [Related]

  • 28. Has Artificial Intelligence Impacted Drug Discovery?
    Patronov A, Papadopoulos K, Engkvist O.
    Methods Mol Biol; 2022 Apr 11; 2390():153-176. PubMed ID: 34731468
    [Abstract] [Full Text] [Related]

  • 29. Molecular de-novo design through deep reinforcement learning.
    Olivecrona M, Blaschke T, Engkvist O, Chen H.
    J Cheminform; 2017 Sep 04; 9(1):48. PubMed ID: 29086083
    [Abstract] [Full Text] [Related]

  • 30. DockingGA: enhancing targeted molecule generation using transformer neural network and genetic algorithm with docking simulation.
    Gao C, Bao W, Wang S, Zheng J, Wang L, Ren Y, Jiao L, Wang J, Wang X.
    Brief Funct Genomics; 2024 Sep 27; 23(5):595-606. PubMed ID: 38582610
    [Abstract] [Full Text] [Related]

  • 31. Generative Models for De Novo Drug Design.
    Tong X, Liu X, Tan X, Li X, Jiang J, Xiong Z, Xu T, Jiang H, Qiao N, Zheng M.
    J Med Chem; 2021 Oct 14; 64(19):14011-14027. PubMed ID: 34533311
    [Abstract] [Full Text] [Related]

  • 32. Tree-Invent: A Novel Multipurpose Molecular Generative Model Constrained with a Topological Tree.
    Xu M, Chen H.
    J Chem Inf Model; 2023 Nov 27; 63(22):7067-7082. PubMed ID: 37962855
    [Abstract] [Full Text] [Related]

  • 33. Improving Chemical Autoencoder Latent Space and Molecular De Novo Generation Diversity with Heteroencoders.
    Bjerrum EJ, Sattarov B.
    Biomolecules; 2018 Oct 30; 8(4):. PubMed ID: 30380783
    [Abstract] [Full Text] [Related]

  • 34. From Target to Drug: Generative Modeling for the Multimodal Structure-Based Ligand Design.
    Skalic M, Sabbadin D, Sattarov B, Sciabola S, De Fabritiis G.
    Mol Pharm; 2019 Oct 07; 16(10):4282-4291. PubMed ID: 31437001
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  • 39. Generation of focused drug molecule library using recurrent neural network.
    Zou J, Zhao L, Shi S.
    J Mol Model; 2023 Nov 06; 29(12):361. PubMed ID: 37932607
    [Abstract] [Full Text] [Related]

  • 40. CMGN: a conditional molecular generation net to design target-specific molecules with desired properties.
    Yang M, Sun H, Liu X, Xue X, Deng Y, Wang X.
    Brief Bioinform; 2023 Jul 20; 24(4):. PubMed ID: 37193672
    [Abstract] [Full Text] [Related]

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