390 related articles for article (PubMed ID: 34760151)
1. Structure-based
Li Y; Pei J; Lai L
Chem Sci; 2021 Oct; 12(41):13664-13675. PubMed ID: 34760151
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. 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]
5. 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]
6.
Zhang J; Chen H
J Chem Inf Model; 2022 Jul; 62(14):3291-3306. PubMed ID: 35793555
[TBL] [Abstract][Full Text] [Related]
7. Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study.
Thomas M; Smith RT; O'Boyle NM; de Graaf C; Bender A
J Cheminform; 2021 May; 13(1):39. PubMed ID: 33985583
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. An equivariant generative framework for molecular graph-structure Co-design.
Zhang Z; Liu Q; Lee CK; Hsieh CY; Chen E
Chem Sci; 2023 Aug; 14(31):8380-8392. PubMed ID: 37564414
[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. 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]
12. 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]
13.
Atance SR; Diez JV; Engkvist O; Olsson S; Mercado R
J Chem Inf Model; 2022 Oct; 62(20):4863-4872. PubMed ID: 36219571
[TBL] [Abstract][Full Text] [Related]
14. Deep Generative Models in
Pang C; Qiao J; Zeng X; Zou Q; Wei L
J Chem Inf Model; 2024 Apr; 64(7):2174-2194. PubMed ID: 37934070
[TBL] [Abstract][Full Text] [Related]
15. RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design.
Wang M; Hsieh CY; Wang J; Wang D; Weng G; Shen C; Yao X; Bing Z; Li H; Cao D; Hou T
J Med Chem; 2022 Jul; 65(13):9478-9492. PubMed ID: 35713420
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Comprehensive assessment of deep generative architectures for de novo drug design.
Wang M; Sun H; Wang J; Pang J; Chai X; Xu L; Li H; Cao D; Hou T
Brief Bioinform; 2022 Jan; 23(1):. PubMed ID: 34929743
[TBL] [Abstract][Full Text] [Related]
18. 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; 12(1):13. PubMed ID: 36627927
[TBL] [Abstract][Full Text] [Related]
19. cMolGPT: A Conditional Generative Pre-Trained Transformer for Target-Specific De Novo Molecular Generation.
Wang Y; Zhao H; Sciabola S; Wang W
Molecules; 2023 May; 28(11):. PubMed ID: 37298906
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
