BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

330 related articles for article (PubMed ID: 34622551)

  • 1. Generative Adversarial Networks for De Novo Molecular Design.
    Lee YJ; Kahng H; Kim SB
    Mol Inform; 2021 Oct; 40(10):e2100045. PubMed ID: 34622551
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Bidirectional Molecule Generation with Recurrent Neural Networks.
    Grisoni F; Moret M; Lingwood R; Schneider G
    J Chem Inf Model; 2020 Mar; 60(3):1175-1183. PubMed ID: 31904964
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Adversarial Threshold Neural Computer for Molecular de Novo Design.
    Putin E; Asadulaev A; Vanhaelen Q; Ivanenkov Y; Aladinskaya AV; Aliper A; Zhavoronkov A
    Mol Pharm; 2018 Oct; 15(10):4386-4397. PubMed ID: 29569445
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Deep reinforcement learning for de novo drug design.
    Popova M; Isayev O; Tropsha A
    Sci Adv; 2018 Jul; 4(7):eaap7885. PubMed ID: 30050984
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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; 22(6):. PubMed ID: 34410338
    [TBL] [Abstract][Full Text] [Related]  

  • 6. MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning.
    Erikawa D; Yasuo N; Sekijima M
    J Cheminform; 2021 Nov; 13(1):94. PubMed ID: 34838134
    [TBL] [Abstract][Full Text] [Related]  

  • 7. SMILES-based deep generative scaffold decorator for de-novo drug design.
    Arús-Pous J; Patronov A; Bjerrum EJ; Tyrchan C; Reymond JL; Chen H; Engkvist O
    J Cheminform; 2020 May; 12(1):38. PubMed ID: 33431013
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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; 37(8):373-394. PubMed ID: 37329395
    [TBL] [Abstract][Full Text] [Related]  

  • 9. UnCorrupt SMILES: a novel approach to de novo design.
    Schoenmaker L; Béquignon OJM; Jespers W; van Westen GJP
    J Cheminform; 2023 Feb; 15(1):22. PubMed ID: 36788579
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Generative Deep Learning for Targeted Compound Design.
    Sousa T; Correia J; Pereira V; Rocha M
    J Chem Inf Model; 2021 Nov; 61(11):5343-5361. PubMed ID: 34699719
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning.
    Guo J; Schwaller P
    JACS Au; 2024 Jun; 4(6):2160-2172. PubMed ID: 38938817
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comparative Study of Deep Generative Models on Chemical Space Coverage.
    Zhang J; Mercado R; Engkvist O; Chen H
    J Chem Inf Model; 2021 Jun; 61(6):2572-2581. PubMed ID: 34015916
    [TBL] [Abstract][Full Text] [Related]  

  • 13. De novo molecular design with deep molecular generative models for PPI inhibitors.
    Wang J; Chu Y; Mao J; Jeon HN; Jin H; Zeb A; Jang Y; Cho KH; Song T; No KT
    Brief Bioinform; 2022 Jul; 23(4):. PubMed ID: 35830870
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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; 211():10-22. PubMed ID: 36764588
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Multi-objective de novo drug design with conditional graph generative model.
    Li Y; Zhang L; Liu Z
    J Cheminform; 2018 Jul; 10(1):33. PubMed ID: 30043127
    [TBL] [Abstract][Full Text] [Related]  

  • 16. De Novo Peptide and Protein Design Using Generative Adversarial Networks: An Update.
    Lin E; Lin CH; Lane HY
    J Chem Inf Model; 2022 Feb; 62(4):761-774. PubMed ID: 35128926
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A de novo molecular generation method using latent vector based generative adversarial network.
    Prykhodko O; Johansson SV; Kotsias PC; Arús-Pous J; Bjerrum EJ; Engkvist O; Chen H
    J Cheminform; 2019 Dec; 11(1):74. PubMed ID: 33430938
    [TBL] [Abstract][Full Text] [Related]  

  • 18. LOGICS: Learning optimal generative distribution for designing de novo chemical structures.
    Bae B; Bae H; Nam H
    J Cheminform; 2023 Sep; 15(1):77. PubMed ID: 37674239
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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; 58(6):1194-1204. PubMed ID: 29762023
    [TBL] [Abstract][Full Text] [Related]  

  • 20. De Novo Molecule Design by Translating from Reduced Graphs to SMILES.
    Pogány P; Arad N; Genway S; Pickett SD
    J Chem Inf Model; 2019 Mar; 59(3):1136-1146. PubMed ID: 30525594
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.