Dong-Sheng Cao

86 papers Journal 86

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	A comprehensive evaluation of advanced methods for identifying structural alerts using extensive toxicity data. J. Cheminformatics Ning-Ning Wang, Yuan-Hang He, Xin-Liang Li, Shao-Hua Shi, You-Chao Deng, Shao Liu, Dong-Sheng Cao
2025	J	`jnl`	DeepDR: an integrated deep-learning model web server for drug repositioning. CoRR Shuting Jin, Yi Jiang, Yimin Liu, Tengfei Ma, Dong-Sheng Cao, Leyi Wei, Xiangrong Liu, Xiangxiang Zeng
2025	J	`jnl`	ET-PROTACs: modeling ternary complex interactions using cross-modal learning and ternary attention for accurate PROTAC-induced degradation prediction. Briefings Bioinform. Lijun Cai, Guanyu Yue, Yifan Chen, Li Wang, Xiaojun Yao, Quan Zou, Xiangzheng Fu, Dong-Sheng Cao
2025	J	`jnl`	GRAPE: graph-regularized protein language modeling unlocks TCR-epitope binding specificity. Briefings Bioinform. Xiangzheng Fu, Li Peng, Haowen Chen, Mingqiang Rong, Yifan Chen, Dong-Sheng Cao, Sisi Yuan, Aiping Lu
2025	J	`jnl`	Hybrid approach for drug-target interaction predictions in ischemic stroke models. Artif. Intell. Medicine Jing-Jie Peng, Yi-Yue Zhang, Rui-Feng Li, Wen-Jun Zhu, Hong-Rui Liu, Hui-Yin Li, Bin Liu, Dong-Sheng Cao, Jun Peng, Xiu-Ju Luo
2025	J	`jnl`	MicroEnvPPI: Microenvironment-Aware Optimization Enables Generalizable Protein-Protein Interaction Prediction. J. Chem. Inf. Model. Kun Yang, Yifan Chen, Yanshi Wei, Mingrong Xiang, Linlin Zhuo, Xiangzheng Fu, Dong-Sheng Cao, Wenqian Zhang
2025	J	`jnl`	MultiCTox: Empowering Accurate Cardiotoxicity Prediction through Adaptive Multimodal Learning. J. Chem. Inf. Model. Lin Feng, Xiangzheng Fu, Zhenya Du, Yuting Guo, Linlin Zhuo, Yan Yang, Dong-Sheng Cao, Xiaojun Yao
2025	J	`jnl`	Pushing the boundaries of few-shot learning for low-data drug discovery with a Bayesian meta-learning hypernetwork framework. Briefings Bioinform. Jiacai Yi, Dejun Jiang, Chengkun Wu, Xiao-Chen Zhang, Weixing He, Wentao Zhao, Dong-Sheng Cao
2025	J	`jnl`	Uncertainty-Aware Deep Learning and Structural Feature Analysis for Reliable Nephrotoxicity Prediction. J. Chem. Inf. Model. Jian-Wang Liu, Ke-Yi Liu, You-Chao Deng, Shao-Hua Shi, Xiang-Zheng Fu, Yue-Ping Jiang, Jing Fang, Qing Zhang, Dejun Jiang, Shao Liu, Dong-Sheng Cao
2024	J	`jnl`	Assembling spatial clustering framework for heterogeneous spatial transcriptomics data with GRAPHDeep. Bioinform. Teng Liu, Zhaoyu Fang, Xin Li, Lining Zhang, Dong-Sheng Cao, Min Li, Mingzhu Yin
2024	J	`jnl`	ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization. Briefings Bioinform. Jiacai Yi, Ziyi Yang, Wen-Tao Zhao, Zhi-Jiang Yang, Xiao-Chen Zhang, Chengkun Wu, Ai-Ping Lu, Dong-Sheng Cao
2024	J	`jnl`	Comprehensive Review of Drug-Drug Interaction Prediction Based on Machine Learning: Current Status, Challenges, and Opportunities. J. Chem. Inf. Model. Ning-Ning Wang, Bei Zhu, Xin-Liang Li, Shao Liu, Jian-Yu Shi, Dong-Sheng Cao
2024	J	`jnl`	DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery. J. Chem. Inf. Model. Chao Shen, Jianfei Song, Chang-Yu Hsieh, Dong-Sheng Cao, Yu Kang, Wenling Ye, Zhenxing Wu, Jike Wang, Odin Zhang, Xujun Zhang, Hao Zeng, Heng Cai, Yu Chen, Linkang Chen, Hao Luo, Xinda Zhao, Tianye Jian, Tong Chen, Dejun Jiang, Mingyang Wang, Qing Ye, Jialu Wu, Hongyan Du, Hui Shi, Yafeng Deng, Tingjun Hou
2024	J	`jnl`	Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. J. Chem. Inf. Model. Teng-Zhi Long, Dejun Jiang, Shao-Hua Shi, You-Chao Deng, Wenxuan Wang, Dong-Sheng Cao
2024	J	`jnl`	ISTransbase: an online database for inhibitor and substrate of drug transporters. Database J. Biol. Databases Curation Jinfu Peng, Jiacai Yi, Guoping Yang, Zhijun Huang, Dong-Sheng Cao
2024	J	`jnl`	Leveraging language model for advanced multiproperty molecular optimization via prompt engineering. Nat. Mac. Intell. Zhenxing Wu, Odin Zhang, Xiaorui Wang, Li Fu, Huifeng Zhao, Jike Wang, Hongyan Du, Dejun Jiang, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Tingjun Hou
2024	J	`jnl`	Predicting Elimination of Small-Molecule Drug Half-Life in Pharmacokinetics Using Ensemble and Consensus Machine Learning Methods. J. Chem. Inf. Model. Jianing Fan, Shao-Hua Shi, Hong Xiang, Li Fu, Yanjing Duan, Dong-Sheng Cao, Hongwei Lu
2024	J	`jnl`	Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development. CoRR Tengfei Ma, Xuan Lin, Tianle Li, Chaoyi Li, Long Chen, Peng Zhou, Xibao Cai, Xinyu Yang, Daojian Zeng, Dong-Sheng Cao, Xiangxiang Zeng
2023	J	`jnl`	Comprehensive assessment of nine target prediction web services: which should we choose for target fishing? Briefings Bioinform. Kai-Yue Ji, Chong Liu, Zhao-Qian Liu, Yafeng Deng, Tingjun Hou, Dong-Sheng Cao
2023	J	`jnl`	Comprehensive evaluation of deep and graph learning on drug-drug interactions prediction. Briefings Bioinform. Xuan Lin, Lichang Dai, Yafang Zhou, Zu-Guo Yu, Wen Zhang, Jian-Yu Shi, Dong-Sheng Cao, Li Zeng, Haowen Chen, Bosheng Song, Philip S. Yu, Xiangxiang Zeng
2023	J	`jnl`	Comprehensive evaluation of deep and graph learning on drug-drug interactions prediction. CoRR Xuan Lin, Lichang Dai, Yafang Zhou, Zu-Guo Yu, Wen Zhang, Jian-Yu Shi, Dong-Sheng Cao, Li Zeng, Haowen Chen, Bosheng Song, Philip S. Yu, Xiangxiang Zeng
2023	J	`jnl`	DKADE: a novel framework based on deep learning and knowledge graph for identifying adverse drug events and related medications. Briefings Bioinform. Ze-Ying Feng, Xue-Hong Wu, Jun-Long Ma, Min Li, Ge-Fei He, Dong-Sheng Cao, Guo-Ping Yang
2023	J	`jnl`	Graph deep learning enabled spatial domains identification for spatial transcriptomics. Briefings Bioinform. Teng Liu, Zhao-Yu Fang, Xin Li, Li-ning Zhang, Dong-Sheng Cao, Mingzhu Yin
2023	J	`jnl`	Improved GNNs for Log  J. Chem. Inf. Model. Yanqing Duan, Li Fu, Xiao-Chen Zhang, Teng-Zhi Long, Yuan-Hang He, Zhao-Qian Liu, Ai-Ping Lu, Yafeng Deng, Chang-Yu Hsieh, Tingjun Hou, Dong-Sheng Cao
2023	J	`jnl`	In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences. J. Cheminformatics Su-Qing Yang, Liu-Xia Zhang, You-Jin Ge, Jin-Wei Zhang, Jian-Xin Hu, Cheng-Ying Shen, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2023	J	`jnl`	Molecular Generation with Reduced Labeling through Constraint Architecture. J. Chem. Inf. Model. Jike Wang, Yundian Zeng, Huiyong Sun, Junmei Wang, Xiaorui Wang, Ruofan Jin, Mingyang Wang, Xujun Zhang, Dong-Sheng Cao, Xi Chen, Chang-Yu Hsieh, Tingjun Hou
2023	J	`jnl`	PROTAC-DB 2.0: an updated database of PROTACs. Nucleic Acids Res. Gaoqi Weng, Xuanyan Cai, Dong-Sheng Cao, Hongyan Du, Chao Shen, Yafeng Deng, Qiaojun He, Bo Yang, Dan Li, Tingjun Hou
2023	J	`jnl`	Reducing false positive rate of docking-based virtual screening by active learning. Briefings Bioinform. Lei Wang, Shao-Hua Shi, Hui Li, Xiangxiang Zeng, Su-You Liu, Zhao-Qian Liu, Yafeng Deng, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2023	J	`jnl`	Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches. J. Chem. Inf. Model. Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu, Min Li, Tingjun Hou, Dong-Sheng Cao
2022	J	`jnl`	ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images. Briefings Bioinform. Xiao-Chen Zhang, Jiacai Yi, Guo-Ping Yang, Chengkun Wu, Tingjun Hou, Dong-Sheng Cao
2022	J	`jnl`	ALipSol: An Attention-Driven Mixture-of-Experts Model for Lipophilicity and Solubility Prediction. J. Chem. Inf. Model. Jialu Wu, Junmei Wang, Zhenxing Wu, Shengyu Zhang, Yafeng Deng, Yu Kang, Dong-Sheng Cao, Chang-Yu Hsieh, Tingjun Hou
2022	J	`jnl`	BioNet: a large-scale and heterogeneous biological network model for interaction prediction with graph convolution. Briefings Bioinform. Xi Yang, Wei Wang, Jing-Lun Ma, Yan-Long Qiu, Kai Lu, Dong-Sheng Cao, Chengkun Wu
2022	J	`jnl`	MICER: a pre-trained encoder-decoder architecture for molecular image captioning. Bioinform. Jiacai Yi, Chengkun Wu, Xiao-Chen Zhang, Xinyi Xiao, Yanlong Qiu, Wentao Zhao, Tingjun Hou, Dong-Sheng Cao
2022	J	`jnl`	Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes. J. Cheminformatics Ning-Ning Wang, Xiang-Gui Wang, Guo-Li Xiong, Ziyi Yang, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao
2022	J	`jnl`	Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism. J. Chem. Inf. Model. Jiahui Yu, Jike Wang, Hong Zhao, Junbo Gao, Yu Kang, Dong-Sheng Cao, Zhe Wang, Tingjun Hou
2022	J	`jnl`	Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. Briefings Bioinform. Dejun Jiang, Huiyong Sun, Jike Wang, Chang-Yu Hsieh, Yuquan Li, Zhenxing Wu, Dong-Sheng Cao, Jian Wu, Tingjun Hou
2022	J	`jnl`	TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine. J. Cheminformatics Liu-Xia Zhang, Jie Dong, Hui Wei, Shao-Hua Shi, Ai-Ping Lu, Gui-Ming Deng, Dong-Sheng Cao
2022	J	`jnl`	VGSC-DB: an online database of voltage-gated sodium channels. J. Cheminformatics Gaoang Wang, Jiahui Yu, Hongyan Du, Chao Shen, Xujun Zhang, Yifei Liu, Yangyang Zhang, Dong-Sheng Cao, Peichen Pan, Tingjun Hou
2021	J	`jnl`	ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic Acids Res. Guo-Li Xiong, Zhenxing Wu, Jiacai Yi, Li Fu, Zhi-Jiang Yang, Chang-Yu Hsieh, Mingzhu Yin, Xiangxiang Zeng, Chengkun Wu, Aiping Lu, Xiang Chen, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions. J. Cheminformatics Xujun Zhang, Chao Shen, Xueying Guo, Zhe Wang, Gaoqi Weng, Qing Ye, Gaoang Wang, Qiaojun He, Bo Yang, Dong-Sheng Cao, Tingjun Hou
2021	J	`jnl`	Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening? Briefings Bioinform. Chao Shen, Gaoqi Weng, Xujun Zhang, Elaine Lai-Han Leung, Xiaojun Yao, Jinping Pang, Xin Chai, Dan Li, Ercheng Wang, Dong-Sheng Cao, Tingjun Hou
2021	J	`jnl`	Beware of the generic machine learning-based scoring functions in structure-based virtual screening. Briefings Bioinform. Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Jinping Pang, Gaoang Wang, Haiyang Zhong, Lei Xu, Dong-Sheng Cao, Tingjun Hou
2021	J	`jnl`	BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study. Briefings Bioinform. Jie Dong, Min-Feng Zhu, Yong-Huan Yun, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions. Briefings Bioinform. Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Haiyang Zhong, Gaoang Wang, Xiaojun Yao, Lei Xu, Dong-Sheng Cao, Tingjun Hou
2021	J	`jnl`	ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds. Briefings Bioinform. Ziyi Yang, Jie Dong, Zhi-Jiang Yang, Mingzhu Yin, Hong-Li Jiang, Ai-Ping Lu, Xiang Chen, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models. J. Cheminformatics Dejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Zhe Wang, Chao Shen, Dong-Sheng Cao, Jian Wu, Tingjun Hou
2021	J	`jnl`	CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors. Nucleic Acids Res. Hongyan Du, Junbo Gao, Gaoqi Weng, Jun-Jie Ding, Xin Chai, Jinping Pang, Yu Kang, Dan Li, Dong-Sheng Cao, Tingjun Hou
2021	J	`jnl`	DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. Briefings Bioinform. Jike Wang, Dong-Sheng Cao, Cunchen Tang, Lei Xu, Qiaojun He, Bo Yang, Xi Chen, Huiyong Sun, Tingjun Hou
2021	J	`jnl`	Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets. Briefings Bioinform. Zhenxing Wu, Minfeng Zhu, Yu Kang, Elaine Lai-Han Leung, Tailong Lei, Chao Shen, Dejun Jiang, Zhe Wang, Dong-Sheng Cao, Tingjun Hou
2021	J	`jnl`	Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method. Briefings Bioinform. Zhenxing Wu, Dejun Jiang, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Dong-Sheng Cao, Tingjun Hou
2021	J	`jnl`	Identification of active molecules against Mycobacterium tuberculosis through machine learning. Briefings Bioinform. Qing Ye, Xin Chai, Dejun Jiang, Liu Yang, Chao Shen, Xujun Zhang, Dan Li, Dong-Sheng Cao, Tingjun Hou
2021	J	`jnl`	Improving structure-based virtual screening performance via learning from scoring function components. Briefings Bioinform. Guo-Li Xiong, Wenling Ye, Chao Shen, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules. Briefings Bioinform. Chengkun Wu, Xiao-Chen Zhang, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction. Briefings Bioinform. Xiao-Chen Zhang, Chengkun Wu, Zhi-Jiang Yang, Zhen-Xing Wu, Jiacai Yi, Chang-Yu Hsieh, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	PROTAC-DB: an online database of PROTACs. Nucleic Acids Res. Gaoqi Weng, Chao Shen, Dong-Sheng Cao, Junbo Gao, Xiaowu Dong, Qiaojun He, Bo Yang, Dan Li, Jian Wu, Tingjun Hou
2021	J	`jnl`	PySmash: Python package and individual executable program for representative substructure generation and application. Briefings Bioinform. Ziyi Yang, Zhi-Jiang Yang, Yue Zhao, Mingzhu Yin, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	QSAR-assisted-MMPA to expand chemical transformation space for lead optimization. Briefings Bioinform. Li Fu, Ziyi Yang, Zhi-Jiang Yang, Mingzhu Yin, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	Scopy: an integrated negative design python library for desirable HTS/VS database design. Briefings Bioinform. Ziyi Yang, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion. J. Cheminformatics Ziyi Yang, Li Fu, Ai-Ping Lu, Shao Liu, Tingjun Hou, Dong-Sheng Cao
2021	J	`jnl`	Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors. Briefings Bioinform. Yue Zhao, Xiang-Gui Wang, Zhong-Ye Ma, Guo-Li Xiong, Zhi-Jiang Yang, Yan Cheng, Ai-Ping Lu, Zhi-Jun Huang, Dong-Sheng Cao
2021	J	`jnl`	The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction. J. Cheminformatics Chao Shen, Xueping Hu, Junbo Gao, Xujun Zhang, Haiyang Zhong, Zhe Wang, Lei Xu, Yu Kang, Dong-Sheng Cao, Tingjun Hou
2020	J	`jnl`	ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning. J. Cheminformatics Dejun Jiang, Tailong Lei, Zhe Wang, Chao Shen, Dong-Sheng Cao, Tingjun Hou
2020	J	`jnl`	Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning. Bioinform. Jike Wang, Dong-Sheng Cao, Cunchen Tang, Xi Chen, Huiyong Sun, Tingjun Hou
2020	J	`jnl`	Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring. J. Chem. Inf. Model. Wenling Ye, Chao Shen, Guo-Li Xiong, Jun-Jie Ding, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2020	J	`jnl`	Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays. J. Chem. Inf. Model. Ziyi Yang, Jie Dong, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2020	J	`jnl`	Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis. J. Chem. Inf. Model. Li Fu, Lu Liu, Zhi-Jiang Yang, Pan Li, Jun-Jie Ding, Yong-Huan Yun, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2019	J	`jnl`	ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches. J. Chem. Inf. Model. Zhenxing Wu, Tailong Lei, Chao Shen, Zhe Wang, Dong-Sheng Cao, Tingjun Hou
2019	J	`jnl`	Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery. J. Chem. Inf. Model. Ziyi Yang, Zhi-Jiang Yang, Jie Dong, Liang-Liang Wang, Liu-Xia Zhang, Jun-Jie Ding, Xiao-Qin Ding, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao
2018	J	`jnl`	ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database. J. Cheminformatics Jie Dong, Ning-Ning Wang, Zhi-Jiang Yao, Lin Zhang, Yan Cheng, Defang Ouyang, Ai-Ping Lu, Dong-Sheng Cao
2018	J	`jnl`	An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction. CoRR Zhuyifan Ye, Yilong Yang, Xiaoshan Li, Dong-Sheng Cao, Defang Ouyang
2018	J	`jnl`	ECoFFeS: A Software Using Evolutionary Computation for Feature Selection in Drug Discovery. IEEE Access Zhi-Zhong Liu, Jia-Wei Huang, Yong Wang, Dong-Sheng Cao
2018	J	`jnl`	HAMdb: a database of human autophagy modulators with specific pathway and disease information. J. Cheminformatics Ning-Ning Wang, Jie Dong, Lin Zhang, Defang Ouyang, Yan Cheng, Alex F. Chen, Ai-Ping Lu, Dong-Sheng Cao
2018	J	`jnl`	PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions. J. Cheminformatics Jie Dong, Zhi-Jiang Yao, Lin Zhang, Feijun Luo, Qinlu Lin, Ai-Ping Lu, Alex F. Chen, Dong-Sheng Cao
2017	J	`jnl`	ChemSAR: an online pipelining platform for molecular SAR modeling. J. Cheminformatics 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
2016	J	`jnl`	ADME Properties Evaluation in Drug Discovery: Prediction of Caco-2 Cell Permeability Using a Combination of NSGA-II and Boosting. J. Chem. Inf. Model. Ning-Ning Wang, Jie Dong, Yin-Hua Deng, Min-Feng Zhu, Ming Wen, Zhiqiang Yao, Ai-Ping Lu, Jian-Bing Wang, Dong-Sheng Cao
2016	J	`jnl`	BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions. J. Cheminformatics Jie Dong, Zhi-Jiang Yao, Ming Wen, Min-Feng Zhu, Ning-Ning Wang, Hongyu Miao, Ai-Ping Lu, Wen-Bin Zeng, Dong-Sheng Cao
2016	J	`jnl`	TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models. J. Comput. Aided Mol. Des. Zhi-Jiang Yao, Jie Dong, Yu-Jing Che, Min-Feng Zhu, Ming Wen, Ning-Ning Wang, Shan Wang, Ai-Ping Lu, Dong-Sheng Cao
2015	J	`jnl`	ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation. J. Cheminformatics Jie Dong, Dong-Sheng Cao, Hongyu Miao, Shao Liu, Bai-Chuan Deng, Yong-Huan Yun, Ning-Ning Wang, Ai-Ping Lu, Wen-Bin Zeng, Alex F. Chen
2015	J	`jnl`	Rcpi: R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions. Bioinform. Dong-Sheng Cao, Nan Xiao, Qing-Song Xu, Alex F. Chen
2015	J	`jnl`	protr/ProtrWeb: R package and web server for generating various numerical representation schemes of protein sequences. Bioinform. Nan Xiao, Dong-Sheng Cao, Min-Feng Zhu, Qing-Song Xu
2013	J	`jnl`	ChemoPy: freely available python package for computational biology and chemoinformatics. Bioinform. Dong-Sheng Cao, Qing-Song Xu, Qian-Nan Hu, Yi-Zeng Liang
2013	J	`jnl`	PyDPI: Freely Available Python Package for Chemoinformatics, Bioinformatics, and Chemogenomics Studies. J. Chem. Inf. Model. Dong-Sheng Cao, Yi-Zeng Liang, Jun Yan, Gui-Shan Tan, Qing-Song Xu, Shao Liu
2013	J	`jnl`	propy: a tool to generate various modes of Chou's PseAAC. Bioinform. Dong-Sheng Cao, Qing-Song Xu, Yi-Zeng Liang
2011	J	`jnl`	Recipe for Uncovering Predictive Genes Using Support Vector Machines Based on Model Population Analysis. IEEE ACM Trans. Comput. Biol. Bioinform. Hong-Dong Li, Yi-Zeng Liang, Qing-Song Xu, Dong-Sheng Cao, Bin-Bin Tan, Bai-Chuan Deng, Chen-Chen Lin
2011	J	`jnl`	RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity. Bioinform. Qian-Nan Hu, Zhe Deng, Huanan Hu, Dong-Sheng Cao, Yi-Zeng Liang
2010	J	`jnl`	A new strategy of outlier detection for QSAR/QSPR. J. Comput. Chem. Dong-Sheng Cao, Yi-Zeng Liang, Qing-Song Xu, Hong-Dong Li, Xian Chen