168 related articles for article (PubMed ID: 31904964)
1. Bidirectional Molecule Generation with Recurrent Neural Networks.
Grisoni F; Moret M; Lingwood R; Schneider G
J Chem Inf Model; 2020 Mar; 60(3):1175-1183. PubMed ID: 31904964
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning.
Erikawa D; Yasuo N; Sekijima M
J Cheminform; 2021 Nov; 13(1):94. PubMed ID: 34838134
[TBL] [Abstract][Full Text] [Related]
4. GEN: highly efficient SMILES explorer using autodidactic generative examination networks.
van Deursen R; Ertl P; Tetko IV; Godin G
J Cheminform; 2020 Apr; 12(1):22. PubMed ID: 33430998
[TBL] [Abstract][Full Text] [Related]
5. De Novo Molecular Design with Chemical Language Models.
Grisoni F; Schneider G
Methods Mol Biol; 2022; 2390():207-232. PubMed ID: 34731471
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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]
9. 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]
10. 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]
11. Molecular language models: RNNs or transformer?
Chen Y; Wang Z; Zeng X; Li Y; Li P; Ye X; Sakurai T
Brief Funct Genomics; 2023 Jul; 22(4):392-400. PubMed ID: 37078726
[TBL] [Abstract][Full Text] [Related]
12. Exploration of Chemical Space Guided by PixelCNN for Fragment-Based De Novo Drug Discovery.
Noguchi S; Inoue J
J Chem Inf Model; 2022 Dec; 62(23):5988-6001. PubMed ID: 36454646
[TBL] [Abstract][Full Text] [Related]
13. CONSMI: Contrastive Learning in the Simplified Molecular Input Line Entry System Helps Generate Better Molecules.
Qian Y; Shi M; Zhang Q
Molecules; 2024 Jan; 29(2):. PubMed ID: 38276573
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. A Novel Molecular Representation Learning for Molecular Property Prediction with a Multiple SMILES-Based Augmentation.
Li C; Feng J; Liu S; Yao J
Comput Intell Neurosci; 2022; 2022():8464452. PubMed ID: 35178082
[TBL] [Abstract][Full Text] [Related]
16. Recurrent neural network from adder's perspective: Carry-lookahead RNN.
Jiang H; Qin F; Cao J; Peng Y; Shao Y
Neural Netw; 2021 Dec; 144():297-306. PubMed ID: 34543855
[TBL] [Abstract][Full Text] [Related]
17. NoiseMol: A noise-robusted data augmentation via perturbing noise for molecular property prediction.
Jiang J; Zhang R; Yuan Y; Li T; Li G; Zhao Z; Yu Z
J Mol Graph Model; 2023 Jun; 121():108454. PubMed ID: 36963306
[TBL] [Abstract][Full Text] [Related]
18. Generation of focused drug molecule library using recurrent neural network.
Zou J; Zhao L; Shi S
J Mol Model; 2023 Nov; 29(12):361. PubMed ID: 37932607
[TBL] [Abstract][Full Text] [Related]
19. Molecular generation by Fast Assembly of (Deep)SMILES fragments.
Berenger F; Tsuda K
J Cheminform; 2021 Nov; 13(1):88. PubMed ID: 34775976
[TBL] [Abstract][Full Text] [Related]
20. Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models.
Moret M; Grisoni F; Katzberger P; Schneider G
J Chem Inf Model; 2022 Mar; 62(5):1199-1206. PubMed ID: 35191696
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]