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Dong-Sheng Cao (Dongsheng Cao)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 61

Top Venues

Briefings in bioinformatics

Journal of chemical information and modeling

Journal of medicinal chemistry

Nature communications

This page only lists publications with an associated author ORCID identifier.

Publications

Kai-Yue Ji, Chong Liu, Zhao-Qian Liu, Ya-Feng Deng, Ting-Jun Hou, Dong-Sheng Cao
Comprehensive assessment of nine target prediction web services: which should we choose for target fishing? Briefings in bioinformatics 24 (2) (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, Dejun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Kai-Yue Ji, Chong Liu, Zhao-Qian Liu, Ya-Feng Deng, Ting-Jun Hou, Dong-Sheng Cao
Comprehensive assessment of nine target prediction web services: which should we choose for target fishing? Briefings in bioinformatics (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, Dejun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, Dejun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Lei Wang, Shao-Hua Shi, Hui Li, Xiang-Xiang Zeng, Su-You Liu, Zhao-Qian Liu, Ya-Feng Deng, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Reducing false positive rate of docking-based virtual screening by active learning. Briefings in bioinformatics (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, Dejun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, Dejun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Jike Wang, Yundian Zeng, Huiyong Sun, Junmei Wang, Xiaorui Wang, Ruofan Jin, Mingyang Wang, Xujun Zhang, Dong-Sheng Cao, Xi Chen, Chang-Yu Hsieh, Ting-Jun Hou
Molecular Generation with Reduced Labeling through Constraint Architecture. Journal of chemical information and modeling (2023)
Ze-Ying Feng, Xue-Hong Wu, Jun-Long Ma, Min Li, Ge-Fei He, Dong-Sheng Cao, Guo-Ping Yang
DKADE: a novel framework based on deep learning and knowledge graph for identifying adverse drug events and related medications. Briefings in bioinformatics (2023)
Yan-Jing Duan, Li Fu, Xiao-Chen Zhang, Teng-Zhi Long, Yuan-Hang He, Zhao-Qian Liu, Ai-Ping Lu, Ya-Feng Deng, Chang-Yu Hsieh, Ting-Jun Hou, Dong-Sheng Cao
Improved GNNs for Log  D 7.4 Prediction by Transferring Knowledge from Low-Fidelity Data. Journal of chemical information and modeling (2023)
Ziyi Yang, Shao-Hua Shi, Li Fu, Aiping Lu, Ting-Jun Hou, Dong-Sheng Cao
Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications. Journal of medicinal chemistry (2023)
Lei Wang, Shao-Hua Shi, Hui Li, Xiang-Xiang Zeng, Su-You Liu, Zhao-Qian Liu, Ya-Feng Deng, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Reducing false positive rate of docking-based virtual screening by active learning. Briefings in bioinformatics 24 (1) (2023)
Xujun Zhang, Chao Shen, Tianyue Wang, Yu Kang, Dan Li, Peichen Pan, Jike Wang, Gaoang Wang, Yafeng Deng, Lei Xu, Dong-Sheng Cao, Ting-Jun Hou, Zhe Wang
Topology-Based and Conformation-Based Decoys Database: An Unbiased Online Database for Training and Benchmarking Machine-Learning Scoring Functions. Journal of medicinal chemistry (2023)
Lei Wang, Shao-Hua Shi, Hui Li, Xiang-Xiang Zeng, Su-You Liu, Zhao-Qian Liu, Ya-Feng Deng, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Reducing false positive rate of docking-based virtual screening by active learning. Briefings in bioinformatics 24 (1) (2023)
Jiahui Yu, Jike Wang, Hong Zhao, Junbo Gao, Yu Kang, Dong-Sheng Cao, Zhe Wang, Ting-Jun Hou
Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism. Journal of chemical information and modeling 62 (12) (2022)
Xiao-Chen Zhang, Jia-Cai Yi, Guo-Ping Yang, Cheng-Kun Wu, Ting-Jun Hou, Dong-Sheng Cao
ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images. Briefings in bioinformatics 23 (2) (2022)
Xujun Zhang, Chao Shen, Ben Liao, Dejun Jiang, Jike Wang, Zhenxing Wu, Hongyan Du, Tianyue Wang, Wenbo Huo, Lei Xu, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
TocoDecoy: A New Approach to Design Unbiased Datasets for Training and Benchmarking Machine-Learning Scoring Functions. Journal of medicinal chemistry 65 (11) (2022)
Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu, Min Li, Ting-Jun Hou, Dong-Sheng Cao
Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches. Journal of chemical information and modeling (2022)
Cheng-Kun Wu, Xiao-Chen Zhang, Zhi-Jiang Yang, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules. Briefings in bioinformatics 22 (6) (2022)
Zhe Wang, Hong Pan, Huiyong Sun, Yu Kang, Huanxiang Liu, Dong-Sheng Cao, Ting-Jun Hou
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation. Briefings in bioinformatics 23 (5) (2022)
Jike Wang, Xiaorui Wang, Huiyong Sun, Mingyang Wang, Yundian Zeng, Dejun Jiang, Zhenxing Wu, Zeyi Liu, Ben Liao, Xiaojun Yao, Chang-Yu Hsieh, Dong-Sheng Cao, Xi Chen, Ting-Jun Hou
ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery. Journal of medicinal chemistry 65 (18) (2022)
Jia-Cai Yi, Chengkun Wu, Xiaochen Zhang, Xinyi Xiao, Yanlong Qiu, Wentao Zhao, Ting-Jun Hou, Dong-Sheng Cao
MICER: a pre-trained encoder-decoder architecture for molecular image captioning. Bioinformatics (Oxford, England) 38 (19) (2022)
Ning-Ning Wang, Xiang-Gui Wang, Guo-Li Xiong, Zi-Yi Yang, Ai-Ping Lu, Xiang Chen, Shao Liu, Ting-Jun Hou, Dong-Sheng Cao
Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes. Journal of cheminformatics 14 (1) (2022)
Dejun Jiang, Huiyong Sun, Jike Wang, Chang-Yu Hsieh, Yuquan Li, Zhenxing Wu, Dong-Sheng Cao, Jian Wu, Ting-Jun Hou
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. Briefings in bioinformatics 23 (2) (2022)
Zhenxing Wu, Dejun Jiang, Jike Wang, Xujun Zhang, Hongyan Du, Lurong Pan, Chang-Yu Hsieh, Dong-Sheng Cao, Ting-Jun Hou
Knowledge-based BERT: a method to extract molecular features like computational chemists. Briefings in bioinformatics 23 (3) (2022)
Jialu Wu, Junmei Wang, Zhenxing Wu, Shengyu Zhang, Yafeng Deng, Yu Kang, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
ALipSol: An Attention-Driven Mixture-of-Experts Model for Lipophilicity and Solubility Prediction. Journal of chemical information and modeling (2022)
Hongyan Du, Dejun Jiang, Junbo Gao, Xujun Zhang, Lingxiao Jiang, Yundian Zeng, Zhenxing Wu, Chao Shen, Lei Xu, Dong-Sheng Cao, Ting-Jun Hou, Peichen Pan
Proteome-Wide Profiling of the Covalent-Druggable Cysteines with a Structure-Based Deep Graph Learning Network. Research (Washington, D.C.) 2022 (2022)
Gaoqi Weng, Xuanyan Cai, Dong-Sheng Cao, Hongyan Du, Chao Shen, Yafeng Deng, Qiaojun He, Bo Yang, Dan Li, Ting-Jun Hou
PROTAC-DB 2.0: an updated database of PROTACs. Nucleic acids research (2022)
Mingyang Wang, Huiyong Sun, Jike Wang, Jinping Pang, Xin Chai, Lei Xu, Honglin Li, Dong-Sheng Cao, Ting-Jun Hou
Comprehensive assessment of deep generative architectures for de novo drug design. Briefings in bioinformatics 23 (1) (2022)
Mingyang Wang, Chang-Yu Hsieh, Jike Wang, Dong Wang, Gaoqi Weng, Chao Shen, Xiaojun Yao, Zhitong Bing, Honglin Li, Dong-Sheng Cao, Ting-Jun Hou
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design. Journal of medicinal chemistry 65 (13) (2022)
Zhenxing Wu, Dejun Jiang, Jike Wang, Chang-Yu Hsieh, Dong-Sheng Cao, Ting-Jun Hou
Mining Toxicity Information from Large Amounts of Toxicity Data. Journal of medicinal chemistry 64 (10) (2021)
Chao Shen, Gaoqi Weng, Xujun Zhang, Elaine Lai-Han Leung, Xiaojun Yao, Jinping Pang, Xin Chai, Dan Li, Ercheng Wang, Dong-Sheng Cao, Ting-Jun Hou
Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening? Briefings in bioinformatics 22 (5) (2021)
Guo-Li Xiong, Yue Zhao, Lu Liu, Zhong-Ye Ma, Ai-Ping Lu, Yan Cheng, Ting-Jun Hou, Dong-Sheng Cao
Computational Bioactivity Fingerprint Similarities To Navigate the Discovery of Novel Scaffolds. Journal of medicinal chemistry 64 (11) (2021)
Liangliang Wang, Junjie Ding, Peichang Shi, Li Fu, Li Pan, Jiahao Tian, Dong-Sheng Cao, Hui Jiang, Xiaoqin Ding
Ensemble machine learning to evaluate the in vivo acute oral toxicity and in vitro human acetylcholinesterase inhibitory activity of organophosphates. Archives of toxicology 95 (7) (2021)
Xi Yang, Wei Wang, Jing-Lun Ma, Yan-Long Qiu, Kai Lu, Dong-Sheng Cao, Cheng-Kun Wu
BioNet: a large-scale and heterogeneous biological network model for interaction prediction with graph convolution. Briefings in bioinformatics (2021)
Yadan Zhang, Yunhui Cai, Yonghui He, Qinlu Lin, Jiali Ren, Dong-Sheng Cao, Lin Zhang
A label-free fluorescent peptide probe for sensitive and selective determination of copper and sulfide ions in aqueous systems. RSC advances 11 (13) (2021)
Guoli Xiong, Zhenxing Wu, Jiacai Yi, Li Fu, Zhijiang Yang, Changyu Hsieh, Mingzhu Yin, Xiangxiang Zeng, Chengkun Wu, Aiping Lu, Xiang Chen, Ting-Jun Hou, Dong-Sheng Cao
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic acids research 49 (W1) (2021)
Zi-Yi Yang, Li Fu, Ai-Ping Lu, Shao Liu, Ting-Jun Hou, Dong-Sheng Cao
Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion. Journal of cheminformatics 13 (1) (2021)
Zi-Yi Yang, Zhi-Jiang Yang, Yue Zhao, Ming-Zhu Yin, Ai-Ping Lu, Xiang Chen, Shao Liu, Ting-Jun Hou, Dong-Sheng Cao
PySmash: Python package and individual executable program for representative substructure generation and application. Briefings in bioinformatics 22 (5) (2021)
Dejun Jiang, Chang-Yu Hsieh, Zhenxing Wu, Yu Kang, Jike Wang, Ercheng Wang, Ben Liao, Chao Shen, Lei Xu, Jian Wu, Dong-Sheng Cao, Ting-Jun Hou
InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions. Journal of medicinal chemistry (2021)
Qing Ye, Chang-Yu Hsieh, Ziyi Yang, Yu Kang, Jiming Chen, Dong-Sheng Cao, Shibo He, Ting-Jun Hou
A unified drug-target interaction prediction framework based on knowledge graph and recommendation system. Nature communications 12 (1) (2021)
Guoli Xiong, Zhijiang Yang, Jiacai Yi, Ningning Wang, Lei Wang, Huimin Zhu, Chengkun Wu, Aiping Lu, Xiang Chen, Shao Liu, Ting-Jun Hou, Dong-Sheng Cao
DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety. Nucleic acids research (2021)
Qing Ye, Xin Chai, Dejun Jiang, Liu Yang, Chao Shen, Xujun Zhang, Dan Li, Dong-Sheng Cao, Ting-Jun Hou
Identification of active molecules against Mycobacterium tuberculosis through machine learning. Briefings in bioinformatics 22 (5) (2021)
Zhe Wang, Xuwen Wang, Yu Kang, Haiyang Zhong, Chao Shen, Xiaojun Yao, Dong-Sheng Cao, Ting-Jun Hou
Binding affinity and dissociation pathway predictions for a series of USP7 inhibitors with pyrimidinone scaffold by multiple computational methods. Physical chemistry chemical physics : PCCP 22 (10) (2020)
Wen-Ling Ye, Chao Shen, Guo-Li Xiong, Jun-Jie Ding, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring. Journal of chemical information and modeling 60 (9) (2020)
Zi-Yi Yang, Jie Dong, Zhi-Jiang Yang, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays. Journal of chemical information and modeling 60 (4) (2020)
Gaoqi Weng, Junbo Gao, Zhe Wang, Ercheng Wang, Xueping Hu, Xiaojun Yao, Dong-Sheng Cao, Ting-Jun Hou
Comprehensive Evaluation of Fourteen Docking Programs on Protein-Peptide Complexes. Journal of chemical theory and computation 16 (6) (2020)
Li Fu, Lu Liu, Zhi-Jiang Yang, Pan Li, Jun-Jie Ding, Yong-Huan Yun, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis. Journal of chemical information and modeling 60 (1) (2020)
Sheng Yang, Jiaxing Jiang, Anxin Zhou, Yibo Zhou, Wenling Ye, Dong-Sheng Cao, Ronghua Yang
Substrate-Photocaged Enzymatic Fluorogenic Probe Enabling Sequential Activation for Light-Controllable Monitoring of Intracellular Tyrosinase Activity. Analytical chemistry 92 (10) (2020)
Zi-Yi Yang, Jun-Hong He, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Application of Negative Design To Design a More Desirable Virtual Screening Library. Journal of medicinal chemistry 63 (9) (2020)
Zhe Wang, Huiyong Sun, Chao Shen, Xueping Hu, Junbo Gao, Dan Li, Dong-Sheng Cao, Ting-Jun Hou
Combined strategies in structure-based virtual screening. Physical chemistry chemical physics : PCCP 22 (6) (2020)
Zhenxing Wu, Tailong Lei, Chao Shen, Zhe Wang, Dong-Sheng Cao, Ting-Jun Hou
ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches. Journal of chemical information and modeling 59 (11) (2019)
Zi-Yi Yang, Zhi-Jiang Yang, Jie Dong, Liang-Liang Wang, Liu-Xia Zhang, Jun-Jie Ding, Xiao-Qin Ding, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery. Journal of chemical information and modeling 59 (9) (2019)
Zhuyifan Ye, Yilong Yang, Xiaoshan Li, Dong-Sheng Cao, Defang Ouyang
An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction. Molecular pharmaceutics 16 (2) (2019)
Ning-Ning Wang, Jie Dong, Lin Zhang, Defang Ouyang, Yan Cheng, Alex F Chen, Ai-Ping Lu, Dong-Sheng Cao
HAMdb: a database of human autophagy modulators with specific pathway and disease information. Journal of cheminformatics 10 (1) (2018)
Jie Dong, Zhi-Jiang Yao, Lin Zhang, Feijun Luo, Qinlu Lin, Ai-Ping Lu, Alex F Chen, Dong-Sheng Cao
PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions. Journal of cheminformatics 10 (1) (2018)
Qianqian Zhao, Nikhila Miriyala, Yan Su, Weijie Chen, Xuejiao Gao, Ling Shao, Ru Yan, Haifeng Li, Xiaojun Yao, Dong-Sheng Cao, Yitao Wang, Defang Ouyang
Computer-Aided Formulation Design for a Highly Soluble Lutein-Cyclodextrin Multiple-Component Delivery System. Molecular pharmaceutics 15 (4) (2018)
Jie Dong, Ning-Ning Wang, Zhi-Jiang Yao, Lin Zhang, Yan Cheng, Defang Ouyang, Ai-Ping Lu, Dong-Sheng Cao
ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database. Journal of cheminformatics 10 (1) (2018)
Lu Liu, Li Fu, Jin-Wei Zhang, Hui Wei, Wen-Ling Ye, Zhen-Ke Deng, Lin Zhang, Yan Cheng, Defang Ouyang, Qian Cao, Dong-Sheng Cao
Three-Level Hepatotoxicity Prediction System Based on Adverse Hepatic Effects. Molecular pharmaceutics 16 (1) (2018)
Jie Dong, Zhi-Jiang Yao, Min-Feng Zhu, Ning-Ning Wang, Ben Lu, Alex F Chen, Ai-Ping Lu, Hongyu Miao, Wen-Bin Zeng, Dong-Sheng Cao
ChemSAR: an online pipelining platform for molecular SAR modeling. Journal of cheminformatics 9 (1) (2017)

Dong-Sheng Cao.css-eqlu8i{font-size:small;padding-left:4px;} (Dongsheng Cao)

Publication Activity (10 Years)

Top Topics

Top Venues

Dong-Sheng Cao (Dongsheng Cao)