327 related articles for article (PubMed ID: 33386094)
1. Graph-based generative models for de Novo drug design.
Xia X; Hu J; Wang Y; Zhang L; Liu Z
Drug Discov Today Technol; 2019 Dec; 32-33():45-53. PubMed ID: 33386094
[TBL] [Abstract][Full Text] [Related]
2. 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; 11(6):567-597. PubMed ID: 30698019
[TBL] [Abstract][Full Text] [Related]
3. Shape-Based Generative Modeling for de Novo Drug Design.
Skalic M; Jiménez J; Sabbadin D; De Fabritiis G
J Chem Inf Model; 2019 Mar; 59(3):1205-1214. PubMed ID: 30762364
[TBL] [Abstract][Full Text] [Related]
4. Deep Learning Applied to Ligand-Based De Novo Drug Design.
Palazzesi F; Pozzan A
Methods Mol Biol; 2022; 2390():273-299. PubMed ID: 34731474
[TBL] [Abstract][Full Text] [Related]
5. Advances in de Novo Drug Design: From Conventional to Machine Learning Methods.
Mouchlis VD; Afantitis A; Serra A; Fratello M; Papadiamantis AG; Aidinis V; Lynch I; Greco D; Melagraki G
Int J Mol Sci; 2021 Feb; 22(4):. PubMed ID: 33562347
[TBL] [Abstract][Full Text] [Related]
6. Generative Recurrent Networks for De Novo Drug Design.
Gupta A; Müller AT; Huisman BJH; Fuchs JA; Schneider P; Schneider G
Mol Inform; 2018 Jan; 37(1-2):. PubMed ID: 29095571
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. 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]
9. Training recurrent neural networks as generative neural networks for molecular structures: how does it impact drug discovery?
D'Souza S; Kv P; Balaji S
Expert Opin Drug Discov; 2022 Oct; 17(10):1071-1079. PubMed ID: 36216812
[TBL] [Abstract][Full Text] [Related]
10. Graph neural networks for automated de novo drug design.
Xiong J; Xiong Z; Chen K; Jiang H; Zheng M
Drug Discov Today; 2021 Jun; 26(6):1382-1393. PubMed ID: 33609779
[TBL] [Abstract][Full Text] [Related]
11. De novo generation of hit-like molecules from gene expression signatures using artificial intelligence.
Méndez-Lucio O; Baillif B; Clevert DA; Rouquié D; Wichard J
Nat Commun; 2020 Jan; 11(1):10. PubMed ID: 31900408
[TBL] [Abstract][Full Text] [Related]
12. 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; 16(10):4282-4291. PubMed ID: 31437001
[TBL] [Abstract][Full Text] [Related]
13. GuacaMol: Benchmarking Models for de Novo Molecular Design.
Brown N; Fiscato M; Segler MHS; Vaucher AC
J Chem Inf Model; 2019 Mar; 59(3):1096-1108. PubMed ID: 30887799
[TBL] [Abstract][Full Text] [Related]
14. The power of deep learning to ligand-based novel drug discovery.
Baskin II
Expert Opin Drug Discov; 2020 Jul; 15(7):755-764. PubMed ID: 32228116
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Molecular design in drug discovery: a comprehensive review of deep generative models.
Cheng Y; Gong Y; Liu Y; Song B; Zou Q
Brief Bioinform; 2021 Nov; 22(6):. PubMed ID: 34415297
[TBL] [Abstract][Full Text] [Related]
17.
Grisoni F; Schneider G
Chimia (Aarau); 2019 Dec; 73(12):1006-1011. PubMed ID: 31883552
[TBL] [Abstract][Full Text] [Related]
18. De novo design - hop(p)ing against hope.
Schneider G
Drug Discov Today Technol; 2013 Dec; 10(4):e453-60. PubMed ID: 24451634
[TBL] [Abstract][Full Text] [Related]
19. Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models.
Xie W; Wang F; Li Y; Lai L; Pei J
J Chem Inf Model; 2022 May; 62(10):2269-2279. PubMed ID: 35544331
[TBL] [Abstract][Full Text] [Related]
20. Network-principled deep generative models for designing drug combinations as graph sets.
Karimi M; Hasanzadeh A; Shen Y
Bioinformatics; 2020 Jul; 36(Suppl_1):i445-i454. PubMed ID: 32657357
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
