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2020 – today
- 2024
[j21]Junren Li
, Kangjie Lin, Jianfeng Pei, Luhua Lai:
Challenging Complexity with Simplicity: Rethinking the Role of Single-Step Models in Computer-Aided Synthesis Planning. J. Chem. Inf. Model. 64(14): 5470-5479 (2024)- [i4]Jiaxian Yan, Zaixi Zhang, Jintao Zhu, Kai Zhang, Jianfeng Pei, Qi Liu:
DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking. CoRR abs/2410.11224 (2024) - 2022
- [j20]Xiaoquan Chu, Tanlin Sun, Qian Li, Youjun Xu, Zhuqing Zhang, Luhua Lai, Jianfeng Pei:
Prediction of liquid-liquid phase separating proteins using machine learning. BMC Bioinform. 23(1): 72 (2022) - [j19]Weixin Xie, Fanhao Wang, Yibo Li, Luhua Lai, Jianfeng Pei:
Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models. J. Chem. Inf. Model. 62(10): 2269-2279 (2022) - [j18]Youjun Xu, Jinchuan Xiao, Chia-Han Chou, Jianhang Zhang, Jintao Zhu, Qiwan Hu, Hemin Li, Ningsheng Han, Bingyu Liu, Shuaipeng Zhang, Jinyu Han, Zhen Zhang, Shuhao Zhang, Weilin Zhang, Luhua Lai, Jianfeng Pei:
MolMiner: You Only Look Once for Chemical Structure Recognition. J. Chem. Inf. Model. 62(22): 5321-5328 (2022) - [i3]Youjun Xu, Jinchuan Xiao, Chia-Han Chou, Jianhang Zhang, Jintao Zhu, Qiwan Hu, Hemin Li, Ningsheng Han, Bingyu Liu, Shuaipeng Zhang, Jinyu Han, Zhen Zhang, Shuhao Zhang, Weilin Zhang, Luhua Lai, Jianfeng Pei:
MolMiner: You only look once for chemical structure recognition. CoRR abs/2205.11016 (2022) - 2021
- [j17]Shiwei Wang, Qi Sun, Youjun Xu, Jianfeng Pei, Luhua Lai:
A transferable deep learning approach to fast screen potential antiviral drugs against SARS-CoV-2. Briefings Bioinform. 22(6) (2021) - [i2]Yibo Li, Jianfeng Pei, Luhua Lai:
Learning to design drug-like molecules in three-dimensional space using deep generative models. CoRR abs/2104.08474 (2021) - 2020
- [j16]Shangwei Lin, Jianfeng Pei, Chunfang Li:
Super Edge-Connected Linear Hypergraphs. Parallel Process. Lett. 30(3): 2040003:1-2040003:10 (2020)
2010 – 2019
- 2018
- [j15]Youjun Xu, Shiwei Wang, Qiwan Hu, Shuaishi Gao, Xiaomin Ma, Weilin Zhang, Yihang Shen, Fangjin Chen, Luhua Lai, Jianfeng Pei:
CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction. Nucleic Acids Res. 46(Webserver-Issue): W374-W379 (2018) - [j14]Tanlin Sun, Luhua Lai, Jianfeng Pei:
Analysis of protein features and machine learning algorithms for prediction of druggable proteins. Quant. Biol. 6(4): 334-343 (2018) - 2017
- [j13]Tanlin Sun, Bo Zhou, Luhua Lai, Jianfeng Pei:
Sequence-based prediction of protein protein interaction using a deep-learning algorithm. BMC Bioinform. 18(1): 277:1-277:8 (2017) - [j12]Weilin Zhang, Jianfeng Pei, Luhua Lai:
Computational Multitarget Drug Design. J. Chem. Inf. Model. 57(3): 403-412 (2017) - [j11]Weilin Zhang, Jianfeng Pei, Luhua Lai:
Statistical Analysis and Prediction of Covalent Ligand Targeted Cysteine Residues. J. Chem. Inf. Model. 57(6): 1453-1460 (2017) - [j10]Youjun Xu, Jianfeng Pei, Luhua Lai:
Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction. J. Chem. Inf. Model. 57(11): 2672-2685 (2017) - [j9]Xia Wang, Yihang Shen, Shiwei Wang, Shiliang Li, Weilin Zhang, Xiaofeng Liu, Luhua Lai, Jianfeng Pei, Honglin Li:
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database. Nucleic Acids Res. 45(Webserver-Issue): W356-W360 (2017) - [i1]Youjun Xu, Jianfeng Pei, Luhua Lai:
Molecular Graph Encoding Convolutional Neural Networks for Automatic Chemical Feature Extraction. CoRR abs/1704.04718 (2017) - 2015
- [j8]Youjun Xu, Ziwei Dai, Fangjin Chen, Shuaishi Gao, Jianfeng Pei, Luhua Lai:
Deep Learning for Drug-Induced Liver Injury. J. Chem. Inf. Model. 55(10): 2085-2093 (2015) - 2014
- [j7]Xia Wang, Haipeng Chen, Feng Yang, Jiayu Gong, Shiliang Li, Jianfeng Pei, Xiaofeng Liu, Hualiang Jiang, Luhua Lai, Honglin Li:
iDrug: a web-accessible and interactive drug discovery and design platform. J. Cheminformatics 6(1): 28 (2014) - [j6]Erchang Shang, Yaxia Yuan, Xinyi Chen, Ying Liu, Jianfeng Pei, Luhua Lai:
De Novo Design of Multitarget Ligands with an Iterative Fragment-Growing Strategy. J. Chem. Inf. Model. 54(4): 1235-1241 (2014) - 2011
- [j5]Yaxia Yuan, Jianfeng Pei, Luhua Lai:
LigBuilder 2: A Practical de Novo Drug Design Approach. J. Chem. Inf. Model. 51(5): 1083-1091 (2011)
2000 – 2009
- 2007
- [j4]Qingliang Li, Andreas Bender, Jianfeng Pei, Luhua Lai:
A Large Descriptor Set and a Probabilistic Kernel-Based Classifier Significantly Improve Druglikeness Classification. J. Chem. Inf. Model. 47(5): 1776-1786 (2007) - 2005
- [j3]Zhenming Liu, Changkang Huang, Keqiang Fan, Ping Wei, Hao Chen, Shiyong Liu, Jianfeng Pei, Lei Shi, Bo Li, Kun Yang, Ying Liu, Luhua Lai:
Virtual Screening of Novel Noncovalent Inhibitors for SARS-CoV 3C-like Proteinase. J. Chem. Inf. Model. 45(1): 10-17 (2005) - [j2]Jianfeng Pei, Hao Chen, Zhenming Liu, Xiaofeng Han, Qi Wang, Bin Shen, Jiaju Zhou, Luhua Lai:
Improving the Quality of 3D-QSAR by Using Flexible-Ligand Receptor Models. J. Chem. Inf. Model. 45(6): 1920-1933 (2005) - 2003
- [j1]Tao Peng, Jianfeng Pei, Jiaju Zhou:
3D-QSAR and Receptor Modeling of Tyrosine Kinase Inhibitors with Flexible Atom Receptor Model (FLARM). J. Chem. Inf. Comput. Sci. 43(1): 298-303 (2003)
Coauthor Index
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