262 related articles for article (PubMed ID: 35793555)
1.
Zhang J; Chen H
J Chem Inf Model; 2022 Jul; 62(14):3291-3306. PubMed ID: 35793555
[TBL] [Abstract][Full Text] [Related]
2. De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites.
Xu M; Ran T; Chen H
J Chem Inf Model; 2021 Jul; 61(7):3240-3254. PubMed ID: 34197105
[No 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. Structure-based
Li Y; Pei J; Lai L
Chem Sci; 2021 Oct; 12(41):13664-13675. PubMed ID: 34760151
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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]
9. 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]
10. 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]
11. Scaffold-Constrained Molecular Generation.
Langevin M; Minoux H; Levesque M; Bianciotto M
J Chem Inf Model; 2020 Dec; 60(12):5637-5646. PubMed ID: 33301333
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. A Simple Way to Incorporate Target Structural Information in Molecular Generative Models.
Zhang W; Zhang K; Huang J
J Chem Inf Model; 2023 Jun; 63(12):3719-3730. PubMed ID: 37318828
[TBL] [Abstract][Full Text] [Related]
14. Explore drug-like space with deep generative models.
Wang J; Mao J; Wang M; Le X; Wang Y
Methods; 2023 Feb; 210():52-59. PubMed ID: 36682423
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. De novo design with deep generative models based on 3D similarity scoring.
Papadopoulos K; Giblin KA; Janet JP; Patronov A; Engkvist O
Bioorg Med Chem; 2021 Aug; 44():116308. PubMed ID: 34280849
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. A New Hybrid Neural Network Deep Learning Method for Protein-Ligand Binding Affinity Prediction and De Novo Drug Design.
Limbu S; Dakshanamurthy S
Int J Mol Sci; 2022 Nov; 23(22):. PubMed ID: 36430386
[TBL] [Abstract][Full Text] [Related]
19. 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; 23(2):. PubMed ID: 35039853
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]