381 related articles for article (PubMed ID: 31273995)
1. Deep Reinforcement Learning for Multiparameter Optimization in
Ståhl N; Falkman G; Karlsson A; Mathiason G; Boström J
J Chem Inf Model; 2019 Jul; 59(7):3166-3176. PubMed ID: 31273995
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. 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]
5. 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]
6. Memory augmented recurrent neural networks for de-novo drug design.
Suresh N; Chinnakonda Ashok Kumar N; Subramanian S; Srinivasa G
PLoS One; 2022; 17(6):e0269461. PubMed ID: 35737661
[TBL] [Abstract][Full Text] [Related]
7. 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]
8.
Grisoni F; Schneider G
Chimia (Aarau); 2019 Dec; 73(12):1006-1011. PubMed ID: 31883552
[TBL] [Abstract][Full Text] [Related]
9. Generative machine learning for de novo drug discovery: A systematic review.
Martinelli DD
Comput Biol Med; 2022 Jun; 145():105403. PubMed ID: 35339849
[TBL] [Abstract][Full Text] [Related]
10. GRELinker: A Graph-Based Generative Model for Molecular Linker Design with Reinforcement and Curriculum Learning.
Zhang H; Huang J; Xie J; Huang W; Yang Y; Xu M; Lei J; Chen H
J Chem Inf Model; 2024 Feb; 64(3):666-676. PubMed ID: 38241022
[TBL] [Abstract][Full Text] [Related]
11. Has Artificial Intelligence Impacted Drug Discovery?
Patronov A; Papadopoulos K; Engkvist O
Methods Mol Biol; 2022; 2390():153-176. PubMed ID: 34731468
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. 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]
15. 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]
16. Optimizing blood-brain barrier permeation through deep reinforcement learning for de novo drug design.
Pereira T; Abbasi M; Oliveira JL; Ribeiro B; Arrais J
Bioinformatics; 2021 Jul; 37(Suppl_1):i84-i92. PubMed ID: 34252946
[TBL] [Abstract][Full Text] [Related]
17. Improving drug discovery with a hybrid deep generative model using reinforcement learning trained on a Bayesian docking approximation.
Xiong Y; Wang Y; Wang Y; Li C; Yusong P; Wu J; Wang Y; Gu L; Butch CJ
J Comput Aided Mol Des; 2023 Nov; 37(11):507-517. PubMed ID: 37550462
[TBL] [Abstract][Full Text] [Related]
18. Deep generative models for ligand-based de novo design applied to multi-parametric optimization.
Perron Q; Mirguet O; Tajmouati H; Skiredj A; Rojas A; Gohier A; Ducrot P; Bourguignon MP; Sansilvestri-Morel P; Do Huu N; Gellibert F; Gaston-Mathé Y
J Comput Chem; 2022 Apr; 43(10):692-703. PubMed ID: 35218219
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. De novo drug design based on Stack-RNN with multi-objective reward-weighted sum and reinforcement learning.
Hu P; Zou J; Yu J; Shi S
J Mol Model; 2023 Mar; 29(4):121. PubMed ID: 36991180
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]