Wang J - Search Results

1

FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization.

Jin J, Wang D, Shi G, Bao J, Wang J, Zhang H, Pan P, Li D, Yao X, Liu H, Hou T, Kang Y. Jin J, et al. Among authors: wang j, wang d. J Med Chem. 2023 Aug 10;66(15):10808-10823. doi: 10.1021/acs.jmedchem.3c01009. Epub 2023 Jul 20. J Med Chem. 2023. PMID: 37471134

2

Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning.

Wang J, Cao D, Tang C, Chen X, Sun H, Hou T. Wang J, et al. Bioinformatics. 2020 Sep 15;36(18):4721-4728. doi: 10.1093/bioinformatics/btaa566. Bioinformatics. 2020. PMID: 32525553

3

Mining Toxicity Information from Large Amounts of Toxicity Data.

Wu Z, Jiang D, Wang J, Hsieh CY, Cao D, Hou T. Wu Z, et al. Among authors: wang j. J Med Chem. 2021 May 27;64(10):6924-6936. doi: 10.1021/acs.jmedchem.1c00421. Epub 2021 May 7. J Med Chem. 2021. PMID: 33961429

4

DeepChargePredictor: a web server for predicting QM-based atomic charges via state-of-the-art machine-learning algorithms.

Wang J, Sun H, Chen J, Jiang D, Wang Z, Wu Z, Chen X, Cao D, Hou T. Wang J, et al. Among authors: wang z. Bioinformatics. 2021 Nov 18;37(22):4255-4257. doi: 10.1093/bioinformatics/btab389. Bioinformatics. 2021. PMID: 34009308

5

DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges.

Wang J, Cao D, Tang C, Xu L, He Q, Yang B, Chen X, Sun H, Hou T. Wang J, et al. Brief Bioinform. 2021 May 20;22(3):bbaa183. doi: 10.1093/bib/bbaa183. Brief Bioinform. 2021. PMID: 34020543

6

Deep learning approaches for de novo drug design: An overview.

Wang M, Wang Z, Sun H, Wang J, Shen C, Weng G, Chai X, Li H, Cao D, Hou T. Wang M, et al. Among authors: wang z, wang j. Curr Opin Struct Biol. 2022 Feb;72:135-144. doi: 10.1016/j.sbi.2021.10.001. Epub 2021 Nov 22. Curr Opin Struct Biol. 2022. PMID: 34823138 Review.

7

InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions.

Jiang D, Hsieh CY, Wu Z, Kang Y, Wang J, Wang E, Liao B, Shen C, Xu L, Wu J, Cao D, Hou T. Jiang D, et al. Among authors: wang e, wang j. J Med Chem. 2021 Dec 23;64(24):18209-18232. doi: 10.1021/acs.jmedchem.1c01830. Epub 2021 Dec 8. J Med Chem. 2021. PMID: 34878785

8

Comprehensive assessment of deep generative architectures for de novo drug design.

Wang M, Sun H, Wang J, Pang J, Chai X, Xu L, Li H, Cao D, Hou T. Wang M, et al. Among authors: wang j. Brief Bioinform. 2022 Jan 17;23(1):bbab544. doi: 10.1093/bib/bbab544. Brief Bioinform. 2022. PMID: 34929743

9

Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning.

Jiang D, Sun H, Wang J, Hsieh CY, Li Y, Wu Z, Cao D, Wu J, Hou T. Jiang D, et al. Among authors: wang j. Brief Bioinform. 2022 Mar 10;23(2):bbab597. doi: 10.1093/bib/bbab597. Brief Bioinform. 2022. PMID: 35062020

10

Knowledge-based BERT: a method to extract molecular features like computational chemists.

Wu Z, Jiang D, Wang J, Zhang X, Du H, Pan L, Hsieh CY, Cao D, Hou T. Wu Z, et al. Among authors: wang j. Brief Bioinform. 2022 May 13;23(3):bbac131. doi: 10.1093/bib/bbac131. Brief Bioinform. 2022. PMID: 35438145

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