147 related articles for article (PubMed ID: 37788995)
1. Retrosynthesis prediction with an interpretable deep-learning framework based on molecular assembly tasks.
Wang Y; Pang C; Wang Y; Jin J; Zhang J; Zeng X; Su R; Zou Q; Wei L
Nat Commun; 2023 Oct; 14(1):6155. PubMed ID: 37788995
[TBL] [Abstract][Full Text] [Related]
2. Deep learning in retrosynthesis planning: datasets, models and tools.
Dong J; Zhao M; Liu Y; Su Y; Zeng X
Brief Bioinform; 2022 Jan; 23(1):. PubMed ID: 34571535
[TBL] [Abstract][Full Text] [Related]
3. Retrosynthesis prediction using an end-to-end graph generative architecture for molecular graph editing.
Zhong W; Yang Z; Chen CY
Nat Commun; 2023 May; 14(1):3009. PubMed ID: 37230985
[TBL] [Abstract][Full Text] [Related]
4. Transfer Learning: Making Retrosynthetic Predictions Based on a Small Chemical Reaction Dataset Scale to a New Level.
Bai R; Zhang C; Wang L; Yao C; Ge J; Duan H
Molecules; 2020 May; 25(10):. PubMed ID: 32438572
[TBL] [Abstract][Full Text] [Related]
5. Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention.
Chen S; Jung Y
JACS Au; 2021 Oct; 1(10):1612-1620. PubMed ID: 34723264
[TBL] [Abstract][Full Text] [Related]
6. Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy.
Schwaller P; Petraglia R; Zullo V; Nair VH; Haeuselmann RA; Pisoni R; Bekas C; Iuliano A; Laino T
Chem Sci; 2020 Mar; 11(12):3316-3325. PubMed ID: 34122839
[TBL] [Abstract][Full Text] [Related]
7. Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks.
Zheng S; Rao J; Zhang Z; Xu J; Yang Y
J Chem Inf Model; 2020 Jan; 60(1):47-55. PubMed ID: 31825611
[TBL] [Abstract][Full Text] [Related]
8. SB-Net: Synergizing CNN and LSTM networks for uncovering retrosynthetic pathways in organic synthesis.
Mir BA; Tayara H; Chong KT
Comput Biol Chem; 2024 Jun; 112():108130. PubMed ID: 38954849
[TBL] [Abstract][Full Text] [Related]
9. CNN-based two-branch multi-scale feature extraction network for retrosynthesis prediction.
Yang F; Liu J; Zhang Q; Yang Z; Zhang X
BMC Bioinformatics; 2022 Sep; 23(1):362. PubMed ID: 36056300
[TBL] [Abstract][Full Text] [Related]
10. RPBP: Deep Retrosynthesis Reaction Prediction Based on Byproducts.
Yan Y; Zhao Y; Yao H; Feng J; Liang L; Han W; Xu X; Pu C; Zang C; Chen L; Li Y; Liu H; Lu T; Chen Y; Zhang Y
J Chem Inf Model; 2023 Oct; 63(19):5956-5970. PubMed ID: 37724339
[TBL] [Abstract][Full Text] [Related]
11. Deep learning driven biosynthetic pathways navigation for natural products with BioNavi-NP.
Zheng S; Zeng T; Li C; Chen B; Coley CW; Yang Y; Wu R
Nat Commun; 2022 Jun; 13(1):3342. PubMed ID: 35688826
[TBL] [Abstract][Full Text] [Related]
12. Transformer-based multitask learning for reaction prediction under low-resource circumstances.
Qiao H; Wu Y; Zhang Y; Zhang C; Wu X; Wu Z; Zhao Q; Wang X; Li H; Duan H
RSC Adv; 2022 Nov; 12(49):32020-32026. PubMed ID: 36380947
[TBL] [Abstract][Full Text] [Related]
13. RetroRanker: leveraging reaction changes to improve retrosynthesis prediction through re-ranking.
Li J; Fang L; Lou JG
J Cheminform; 2023 Jun; 15(1):58. PubMed ID: 37291642
[TBL] [Abstract][Full Text] [Related]
14. Unified Deep Learning Model for Multitask Reaction Predictions with Explanation.
Lu J; Zhang Y
J Chem Inf Model; 2022 Mar; 62(6):1376-1387. PubMed ID: 35266390
[TBL] [Abstract][Full Text] [Related]
15. G2GT: Retrosynthesis Prediction with Graph-to-Graph Attention Neural Network and Self-Training.
Lin Z; Yin S; Shi L; Zhou W; Zhang YJ
J Chem Inf Model; 2023 Apr; 63(7):1894-1905. PubMed ID: 36946514
[TBL] [Abstract][Full Text] [Related]
16. MARS: a motif-based autoregressive model for retrosynthesis prediction.
Liu J; Yan C; Yu Y; Lu C; Huang J; Ou-Yang L; Zhao P
Bioinformatics; 2024 Mar; 40(3):. PubMed ID: 38426338
[TBL] [Abstract][Full Text] [Related]
17. Prediction and Interpretable Visualization of Retrosynthetic Reactions Using Graph Convolutional Networks.
Ishida S; Terayama K; Kojima R; Takasu K; Okuno Y
J Chem Inf Model; 2019 Dec; 59(12):5026-5033. PubMed ID: 31769668
[TBL] [Abstract][Full Text] [Related]
18. GLACIER: GLASS-BOX TRANSFORMER FOR INTERPRETABLE DYNAMIC NEUROIMAGING.
Mahmood U; Fu Z; Calhoun V; Plis S
Proc IEEE Int Conf Acoust Speech Signal Process; 2023 Jun; 2023():. PubMed ID: 37266485
[TBL] [Abstract][Full Text] [Related]
19. KAMPNet: multi-source medical knowledge augmented medication prediction network with multi-level graph contrastive learning.
An Y; Tang H; Jin B; Xu Y; Wei X
BMC Med Inform Decis Mak; 2023 Oct; 23(1):243. PubMed ID: 37904198
[TBL] [Abstract][Full Text] [Related]
20. Neural-Symbolic Machine Learning for Retrosynthesis and Reaction Prediction.
Segler MHS; Waller MP
Chemistry; 2017 May; 23(25):5966-5971. PubMed ID: 28134452
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]