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Journal Abstract Search

303 related items for PubMed ID: 33301333

  • 1. Scaffold-Constrained Molecular Generation.
    Langevin M, Minoux H, Levesque M, Bianciotto M.
    J Chem Inf Model; 2020 Dec 28; 60(12):5637-5646. PubMed ID: 33301333
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  • 3. Generative Recurrent Networks for De Novo Drug Design.
    Gupta A, Müller AT, Huisman BJH, Fuchs JA, Schneider P, Schneider G.
    Mol Inform; 2018 Jan 28; 37(1-2):. PubMed ID: 29095571
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  • 5. Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries.
    Bian Y, Xie XQ.
    Cells; 2022 Mar 07; 11(5):. PubMed ID: 35269537
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  • 6. The power of deep learning to ligand-based novel drug discovery.
    Baskin II.
    Expert Opin Drug Discov; 2020 Jul 07; 15(7):755-764. PubMed ID: 32228116
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  • 7. De Novo Molecule Design Using Molecular Generative Models Constrained by Ligand-Protein Interactions.
    Zhang J, Chen H.
    J Chem Inf Model; 2022 Jul 25; 62(14):3291-3306. PubMed ID: 35793555
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  • 9. De novo generation of dual-target ligands using adversarial training and reinforcement learning.
    Lu F, Li M, Min X, Li C, Zeng X.
    Brief Bioinform; 2021 Nov 05; 22(6):. PubMed ID: 34410338
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  • 10. De novo drug design as GPT language modeling: large chemistry models with supervised and reinforcement learning.
    Ye G.
    J Comput Aided Mol Des; 2024 Apr 22; 38(1):20. PubMed ID: 38647700
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  • 11. Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES.
    Bjerrum EJ, Margreitter C, Blaschke T, Kolarova S, de Castro RL.
    J Comput Aided Mol Des; 2023 Aug 22; 37(8):373-394. PubMed ID: 37329395
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  • 14. Bidirectional Molecule Generation with Recurrent Neural Networks.
    Grisoni F, Moret M, Lingwood R, Schneider G.
    J Chem Inf Model; 2020 Mar 23; 60(3):1175-1183. PubMed ID: 31904964
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  • 15. De novo drug design based on Stack-RNN with multi-objective reward-weighted sum and reinforcement learning.
    Hu P, Zou J, Yu J, Shi S.
    J Mol Model; 2023 Mar 30; 29(4):121. PubMed ID: 36991180
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  • 16. Deep learning for molecular generation.
    Xu Y, Lin K, Wang S, Wang L, Cai C, Song C, Lai L, Pei J.
    Future Med Chem; 2019 Mar 30; 11(6):567-597. PubMed ID: 30698019
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  • 19. A Scaffold-based Deep Generative Model Considering Molecular Stereochemical Information.
    Xu T, Wang M, Liu X, Feng D, Zhu Y, Fan Z, Rao S, Lu J.
    Mol Inform; 2022 Dec 30; 41(12):e2200088. PubMed ID: 36031563
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  • 20. Molecular substructure tree generative model for de novo drug design.
    Wang S, Song T, Zhang S, Jiang M, Wei Z, Li Z.
    Brief Bioinform; 2022 Mar 10; 23(2):. PubMed ID: 35039853
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