These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
358 related articles for article (PubMed ID: 34694798)
1. MolGPT: Molecular Generation Using a Transformer-Decoder Model. Bagal V; Aggarwal R; Vinod PK; Priyakumar UD J Chem Inf Model; 2022 May; 62(9):2064-2076. PubMed ID: 34694798 [TBL] [Abstract][Full Text] [Related]
2. Generative Pre-trained Transformer (GPT) based model with relative attention for de novo drug design. Haroon S; C A H; A S J Comput Biol Chem; 2023 Oct; 106():107911. PubMed ID: 37450999 [TBL] [Abstract][Full Text] [Related]
3. FSM-DDTR: End-to-end feedback strategy for multi-objective De Novo drug design using transformers. Monteiro NRC; Pereira TO; Machado ACD; Oliveira JL; Abbasi M; Arrais JP Comput Biol Med; 2023 Sep; 164():107285. PubMed ID: 37557054 [TBL] [Abstract][Full Text] [Related]
4. 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]
5. Llamol: a dynamic multi-conditional generative transformer for de novo molecular design. Dobberstein N; Maass A; Hamaekers J J Cheminform; 2024 Jun; 16(1):73. PubMed ID: 38907298 [TBL] [Abstract][Full Text] [Related]
6. MTMol-GPT: De novo multi-target molecular generation with transformer-based generative adversarial imitation learning. Ai C; Yang H; Liu X; Dong R; Ding Y; Guo F PLoS Comput Biol; 2024 Jun; 20(6):e1012229. PubMed ID: 38924082 [TBL] [Abstract][Full Text] [Related]
7. DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning. Liu X; Ye K; van Vlijmen HWT; IJzerman AP; van Westen GJP J Cheminform; 2023 Feb; 15(1):24. PubMed ID: 36803659 [TBL] [Abstract][Full Text] [Related]
8. Molecule generation using transformers and policy gradient reinforcement learning. Mazuz E; Shtar G; Shapira B; Rokach L Sci Rep; 2023 May; 13(1):8799. PubMed ID: 37258546 [TBL] [Abstract][Full Text] [Related]
9. Conditional Molecular Design with Deep Generative Models. Kang S; Cho K J Chem Inf Model; 2019 Jan; 59(1):43-52. PubMed ID: 30016587 [TBL] [Abstract][Full Text] [Related]
10. 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]
11. RM-GPT: Enhance the comprehensive generative ability of molecular GPT model via LocalRNN and RealFormer. Fan W; He Y; Zhu F Artif Intell Med; 2024 Apr; 150():102827. PubMed ID: 38553166 [TBL] [Abstract][Full Text] [Related]
12. Enhancing reinforcement learning for de novo molecular design applying self-attention mechanisms. Pereira TO; Abbasi M; Arrais JP Brief Bioinform; 2023 Sep; 24(6):. PubMed ID: 37903414 [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. 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]
15. Molecular Descriptors Property Prediction Using Transformer-Based Approach. Tran T; Ekenna C Int J Mol Sci; 2023 Jul; 24(15):. PubMed ID: 37569322 [TBL] [Abstract][Full Text] [Related]
16. De novo drug design as GPT language modeling: large chemistry models with supervised and reinforcement learning. Ye G J Comput Aided Mol Des; 2024 Apr; 38(1):20. PubMed ID: 38647700 [TBL] [Abstract][Full Text] [Related]
17. 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]
18. Bayesian molecular design with a chemical language model. Ikebata H; Hongo K; Isomura T; Maezono R; Yoshida R J Comput Aided Mol Des; 2017 Apr; 31(4):379-391. PubMed ID: 28281211 [TBL] [Abstract][Full Text] [Related]
19. Can large language models understand molecules? Sadeghi S; Bui A; Forooghi A; Lu J; Ngom A BMC Bioinformatics; 2024 Jun; 25(1):225. PubMed ID: 38926641 [TBL] [Abstract][Full Text] [Related]
20. Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attention. Kim H; Na J; Lee WB J Chem Inf Model; 2021 Dec; 61(12):5804-5814. PubMed ID: 34855384 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]