Zhang C - Search Results

1

From theory to experiment: transformer-based generation enables rapid discovery of novel reactions.

Wang X, Yao C, Zhang Y, Yu J, Qiao H, Zhang C, Wu Y, Bai R, Duan H. Wang X, et al. Among authors: zhang c, zhang y. J Cheminform. 2022 Sep 2;14(1):60. doi: 10.1186/s13321-022-00638-z. J Cheminform. 2022. PMID: 36056425 Free PMC article.

2

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. Bai R, et al. Among authors: zhang c. Molecules. 2020 May 19;25(10):2357. doi: 10.3390/molecules25102357. Molecules. 2020. PMID: 32438572 Free PMC article.

3

Heck reaction prediction using a transformer model based on a transfer learning strategy.

Wang L , Zhang C , Bai R , Li J , Duan H . Wang L , et al. Among authors: zhang c. Chem Commun (Camb). 2020 Aug 21;56(65):9368-9371. doi: 10.1039/d0cc02657c. Epub 2020 Jul 16. Chem Commun (Camb). 2020. PMID: 32672319

4

A graph-convolutional neural network for addressing small-scale reaction prediction.

Wu Y, Zhang C, Wang L, Duan H. Wu Y, et al. Among authors: zhang c. Chem Commun (Camb). 2021 Apr 27;57(34):4114-4117. doi: 10.1039/d1cc00586c. Chem Commun (Camb). 2021. PMID: 33908460

5

Reproducing the invention of a named reaction: zero-shot prediction of unseen chemical reactions.

Su A, Wang X, Wang L, Zhang C, Wu Y, Wu X, Zhao Q, Duan H. Su A, et al. Among authors: zhang c. Phys Chem Chem Phys. 2022 May 4;24(17):10280-10291. doi: 10.1039/d1cp05878a. Phys Chem Chem Phys. 2022. PMID: 35437562

6

Retrosynthesis with attention-based NMT model and chemical analysis of "wrong" predictions.

Duan H, Wang L, Zhang C, Guo L, Li J. Duan H, et al. Among authors: zhang c. RSC Adv. 2020 Jan 8;10(3):1371-1378. doi: 10.1039/c9ra08535a. eCollection 2020 Jan 7. RSC Adv. 2020. PMID: 35494683 Free PMC article.

7

Self-Supervised Molecular Pretraining Strategy for Low-Resource Reaction Prediction Scenarios.

Wu Z, Cai X, Zhang C, Qiao H, Wu Y, Zhang Y, Wang X, Xie H, Luo F, Duan H. Wu Z, et al. Among authors: zhang c, zhang y. J Chem Inf Model. 2022 Oct 10;62(19):4579-4590. doi: 10.1021/acs.jcim.2c00588. Epub 2022 Sep 21. J Chem Inf Model. 2022. PMID: 36129104

8

Virtual data augmentation method for reaction prediction.

Wu X, Zhang Y, Yu J, Zhang C, Qiao H, Wu Y, Wang X, Wu Z, Duan H. Wu X, et al. Among authors: zhang c, zhang y. Sci Rep. 2022 Oct 12;12(1):17098. doi: 10.1038/s41598-022-21524-6. Sci Rep. 2022. PMID: 36224331 Free PMC article.

9

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. Qiao H, et al. Among authors: zhang c, zhang y. RSC Adv. 2022 Nov 8;12(49):32020-32026. doi: 10.1039/d2ra05349g. eCollection 2022 Nov 3. RSC Adv. 2022. PMID: 36380947 Free PMC article.

10

PepScaf: Harnessing Machine Learning with In Vitro Selection toward De Novo Macrocyclic Peptides against IL-17C/IL-17RE Interaction.

Zhai S, Tan Y, Zhang C, Hipolito CJ, Song L, Zhu C, Zhang Y, Duan H, Yin Y. Zhai S, et al. Among authors: zhang c, zhang y. J Med Chem. 2023 Aug 24;66(16):11187-11200. doi: 10.1021/acs.jmedchem.3c00627. Epub 2023 Jul 22. J Med Chem. 2023. PMID: 37480587

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