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Journal Articles
- 2024
[j16]Tao Shen
, Shan Li, Xiang Simon Wang, Dongmei Wang, Song Wu, Jie Xia, Liangren Zhang:
Deep reinforcement learning enables better bias control in benchmark for virtual screening. Comput. Biol. Medicine 171: 108165 (2024)- [j15]Yuheng Ding, Bo Qiang, Qixuan Chen, Yiqiao Liu, Liangren Zhang, Zhenming Liu:
Exploring Chemical Reaction Space with Machine Learning Models: Representation and Feature Perspective. J. Chem. Inf. Model. 64(8): 2955-2970 (2024) - 2023
- [j14]Bo Qiang, Yiran Zhou, Yuheng Ding, Ningfeng Liu, Song Song, Liangren Zhang, Bo Huang, Zhenming Liu:
Bridging the gap between chemical reaction pretraining and conditional molecule generation with a unified model. Nat. Mac. Intell. 5(12): 1476-1485 (2023) - 2021
- [j13]Ningfeng Liu, Junyong Lai, Chuanyu Lyu, Bo Qiang, Heyu Wang, Hongwei Jin, Liangren Zhang, Zhenming Liu:
Chemical Space, Scaffolds, and Halogenated Compounds of CMNPD: A Comprehensive Chemoinformatic Analysis. J. Chem. Inf. Model. 61(7): 3323-3336 (2021) - [j12]Chuanyu Lyu, Tong Chen, Bo Qiang, Ningfeng Liu, Heyu Wang, Liangren Zhang, Zhenming Liu:
CMNPD: a comprehensive marine natural products database towards facilitating drug discovery from the ocean. Nucleic Acids Res. 49(Database-Issue): D509-D515 (2021) - 2020
- [j11]Yibo Li, Jianxing Hu, Yanxing Wang, Jielong Zhou, Liangren Zhang, Zhenming Liu:
DeepScaffold: A Comprehensive Tool for Scaffold-Based De Novo Drug Discovery Using Deep Learning. J. Chem. Inf. Model. 60(1): 77-91 (2020) - [j10]Jie Xia, Zhenyi Wang, Yi Huan, Wenjie Xue, Xing Wang, Yuxi Wang, Zhenming Liu, Jui-Hua Hsieh, Liangren Zhang, Song Wu, Zhufang Shen, Hongmin Zhang, Xiang Simon Wang:
Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists. J. Chem. Inf. Model. 60(3): 1202-1214 (2020) - [j9]Yanxing Wang, Jianxing Hu, Junyong Lai, Yibo Li, Hongwei Jin, Li He Zhang, Liang Ren Zhang, Zhenming Liu:
TF3P: Three-Dimensional Force Fields Fingerprint Learned by Deep Capsular Network. J. Chem. Inf. Model. 60(6): 2754-2765 (2020) - 2018
- [j8]Yibo Li, Liangren Zhang, Zhenming Liu:
Multi-objective de novo drug design with conditional graph generative model. J. Cheminformatics 10(1): 33:1-33:24 (2018) - [j7]Jie Xia, Terry-Elinor Reid, Song Wu, Liangren Zhang, Xiang Simon Wang:
Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis. J. Chem. Inf. Model. 58(5): 1104-1120 (2018) - 2015
- [j6]Jie Xia, Ermias Lemma Tilahun, Eyob Hailu Kebede, Terry-Elinor Reid, Liang Ren Zhang, Xiang Simon Wang:
Comparative Modeling and Benchmarking Data Sets for Human Histone Deacetylases and Sirtuin Families. J. Chem. Inf. Model. 55(2): 374-388 (2015) - 2014
- [j5]Jie Xia, Hongwei Jin, Zhenming Liu, Liang Ren Zhang, Xiang Simon Wang:
An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application To GPCRs. J. Chem. Inf. Model. 54(5): 1433-1450 (2014) - 2011
- [j4]Zhenming Liu, Bo Li, Xia Li, Liang Ren Zhang, Luhua Lai:
Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy. J. Chem. Inf. Model. 51(2): 326-334 (2011) - [j3]Zhenming Liu, Bo Li, Xia Li, Liang Ren Zhang, Luhua Lai:
Correction to Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy. J. Chem. Inf. Model. 51(7): 1737 (2011) - 2009
- [j2]Bo Li, Zhenming Liu, Liang Ren Zhang, Li He Zhang:
Multiple-Docking and Affinity Fingerprint Methods for Protein Classification and Inhibitors Selection. J. Chem. Inf. Model. 49(7): 1725-1733 (2009) - 2002
- [j1]Jun Chen, Liang Ren Zhang, Ji Mei Min, Li He Zhang:
Studies on the synthesis of a G-rich octaoligoisonucleotide (isoT)2(isoG)4(isoT)2 by the phosphotriester approach and its formation of G-quartet structure. Nucleic Acids Res. 30(13): 3005-3014 (2002)
Informal and Other Publications
- 2024
- [i5]Ningfeng Liu, Jie Yu, Siyu Xiu, Xinfang Zhao, Siyu Lin, Bo Qiang, Ruqiu Zheng, Hongwei Jin, Liangren Zhang, Zhenming Liu:
Latent Chemical Space Searching for Plug-in Multi-objective Molecule Generation. CoRR abs/2404.06691 (2024) - 2023
- [i4]Bo Qiang, Yiran Zhou, Yuheng Ding, Ningfeng Liu, Song Song, Liangren Zhang, Bo Huang, Zhenming Liu:
Uni-RXN: A Unified Framework Bridging the Gap between Chemical Reaction Pretraining and Conditional Molecule Generation. CoRR abs/2303.06965 (2023) - 2019
- [i3]Yibo Li, Jianxing Hu, Yanxing Wang, Jielong Zhou, Liangren Zhang, Zhenming Liu:
DeepScaffold: a comprehensive tool for scaffold-based de novo drug discovery using deep learning. CoRR abs/1908.07209 (2019) - [i2]Yanxing Wang, Jianxing Hu, Junyong Lai, Yibo Li, Hongwei Jin, Li He Zhang, Liangren Zhang, Zhenming Liu:
TF3P: Three-dimensional Force Fields Fingerprint Learned by Deep Capsular Network. CoRR abs/1912.11430 (2019) - 2018
- [i1]Yibo Li, Liang Ren Zhang, Zhenming Liu:
Multi-Objective De Novo Drug Design with Conditional Graph Generative Model. CoRR abs/1801.07299 (2018)
Coauthor Index
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