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Journal Abstract Search

213 related items for PubMed ID: 38790018

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  • 23. MedGAN: optimized generative adversarial network with graph convolutional networks for novel molecule design.
    Macedo B, Ribeiro Vaz I, Taveira Gomes T.
    Sci Rep; 2024 Jan 12; 14(1):1212. PubMed ID: 38216614
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  • 24. DNMG: Deep molecular generative model by fusion of 3D information for de novo drug design.
    Song T, Ren Y, Wang S, Han P, Wang L, Li X, Rodriguez-Patón A.
    Methods; 2023 Mar 12; 211():10-22. PubMed ID: 36764588
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  • 25. Memory-assisted reinforcement learning for diverse molecular de novo design.
    Blaschke T, Engkvist O, Bajorath J, Chen H.
    J Cheminform; 2020 Nov 10; 12(1):68. PubMed ID: 33292554
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  • 26. De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models.
    Atance SR, Diez JV, Engkvist O, Olsson S, Mercado R.
    J Chem Inf Model; 2022 Oct 24; 62(20):4863-4872. PubMed ID: 36219571
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  • 30. Artificial Intelligence-Enabled De Novo Design of Novel Compounds that Are Synthesizable.
    Bhisetti G, Fang C.
    Methods Mol Biol; 2022 Oct 24; 2390():409-419. PubMed ID: 34731479
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  • 31. Applications of Deep Learning in Molecule Generation and Molecular Property Prediction.
    Walters WP, Barzilay R.
    Acc Chem Res; 2021 Jan 19; 54(2):263-270. PubMed ID: 33370107
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  • 33. Generating and screening de novo compounds against given targets using ultrafast deep learning models as core components.
    Zhang H, Saravanan KM, Yang Y, Wei Y, Yi P, Zhang JZH.
    Brief Bioinform; 2022 Jul 18; 23(4):. PubMed ID: 35724626
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  • 35. A flexible data-free framework for structure-based de novo drug design with reinforcement learning.
    Du H, Jiang D, Zhang O, Wu Z, Gao J, Zhang X, Wang X, Deng Y, Kang Y, Li D, Pan P, Hsieh CY, Hou T.
    Chem Sci; 2023 Nov 08; 14(43):12166-12181. PubMed ID: 37969589
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  • 36. 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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  • 37. On failure modes in molecule generation and optimization.
    Renz P, Van Rompaey D, Wegner JK, Hochreiter S, Klambauer G.
    Drug Discov Today Technol; 2019 Dec 10; 32-33():55-63. PubMed ID: 33386095
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  • 38. Molecule generation toward target protein (SARS-CoV-2) using reinforcement learning-based graph neural network via knowledge graph.
    Ranjan A, Kumar H, Kumari D, Anand A, Misra R.
    Netw Model Anal Health Inform Bioinform; 2023 Dec 10; 12(1):13. PubMed ID: 36627927
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  • 39. Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods.
    Sauer S, Matter H, Hessler G, Grebner C.
    Front Chem; 2022 Dec 10; 10():1012507. PubMed ID: 36339033
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  • 40. Enabling target-aware molecule generation to follow multi objectives with Pareto MCTS.
    Yang Y, Chen G, Li J, Li J, Zhang O, Zhang X, Li L, Hao J, Wang E, Heng PA.
    Commun Biol; 2024 Sep 02; 7(1):1074. PubMed ID: 39223327
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