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ORCIDDong-Sheng Cao 0001
Dongsheng Cao 0001
Person information
- affiliation: Central South University, School of Pharmaceutical Sciences, Changsha, China
- affiliation: Hong Kong Baptist University, School of Chinese Medicine, Hong Kong
Other persons with the same name
- Dongsheng Cao 0002 — Anhui Medical University, Second Affiliated Hospital, Hefei, China
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2020 – today
- 2024
[j80]Yun Kuang, Dongsheng Cao, Yonghui Zuo, Jinghan Yuan, Feng Lu
, Yi Zou, Hong Wang, Dan Jiang, Qi Pei, Guoping Yang:
CPhaMAS: An online platform for pharmacokinetic data analysis based on optimized parameter fitting algorithm. Comput. Methods Programs Biomed. 248: 108137 (2024)- [j79]Mingquan Liu, Chunyan Li, Ruizhe Chen, Dongsheng Cao, Xiangxiang Zeng:
Geometric deep learning for drug discovery. Expert Syst. Appl. 240: 122498 (2024) - [j78]Yuansheng Liu, Zhenran Zhou, Xiaofeng Cao, Dongsheng Cao, Xiangxiang Zeng:
Effective drug-target affinity prediction via generative active learning. Inf. Sci. 679: 121135 (2024) - [j77]Ning-Ning Wang, Bei Zhu, Xin-Liang Li, Shao Liu, Jian-Yu Shi, Dong-Sheng Cao:
Comprehensive Review of Drug-Drug Interaction Prediction Based on Machine Learning: Current Status, Challenges, and Opportunities. J. Chem. Inf. Model. 64(1): 96-109 (2024) - [j76]Jianing Fan, Shao-Hua Shi, Hong Xiang, Li Fu, Yanjing Duan, Dong-Sheng Cao, Hongwei Lu:
Predicting Elimination of Small-Molecule Drug Half-Life in Pharmacokinetics Using Ensemble and Consensus Machine Learning Methods. J. Chem. Inf. Model. 64(8): 3080-3092 (2024) - [j75]Teng-Zhi Long, Dejun Jiang, Shao-Hua Shi, You-Chao Deng, Wen-Xuan Wang, Dong-Sheng Cao:
Enhancing Multi-species Liver Microsomal Stability Prediction through Artificial Intelligence. J. Chem. Inf. Model. 64(8): 3222-3236 (2024) - 2023
- [j74]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:
Reducing false positive rate of docking-based virtual screening by active learning. Briefings Bioinform. 24(1) (2023) - [j73]Kai-Yue Ji, Chong Liu, Zhao-Qian Liu, Yafeng Deng, Tingjun Hou, Dong-Sheng Cao:
Comprehensive assessment of nine target prediction web services: which should we choose for target fishing? Briefings Bioinform. 24(2) (2023) - [j72]Teng Liu, Zhao-Yu Fang, Xin Li, Li-Ning Zhang, Dong-Sheng Cao, Ming-Zhu Yin:
Graph deep learning enabled spatial domains identification for spatial transcriptomics. Briefings Bioinform. 24(3) (2023) - [j71]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 Bioinform. 24(4) (2023) - [j70]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:
Comprehensive evaluation of deep and graph learning on drug-drug interactions prediction. Briefings Bioinform. 24(4) (2023) - [j69]Yangyang Chen, Zixu Wang, Lei Wang, Jianmin Wang, Pengyong Li, Dongsheng Cao, Xiangxiang Zeng, Xiucai Ye, Tetsuya Sakurai:
Deep generative model for drug design from protein target sequence. J. Cheminformatics 15(1): 38 (2023) - [j68]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:
In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences. J. Cheminformatics 15(1): 48 (2023) - [j67]Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu, Min Li, Tingjun Hou, Dong-Sheng Cao:
Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches. J. Chem. Inf. Model. 63(1): 111-125 (2023) - [j66]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:
Improved GNNs for Log D7.4 Prediction by Transferring Knowledge from Low-Fidelity Data. J. Chem. Inf. Model. 63(8): 2345-2359 (2023) - [j65]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:
Molecular Generation with Reduced Labeling through Constraint Architecture. J. Chem. Inf. Model. 63(11): 3319-3327 (2023) - [j64]Gaoqi Weng, Xuanyan Cai, Dong-Sheng Cao, Hongyan Du, Chao Shen, Yafeng Deng, Qiaojun He, Bo Yang, Dan Li, Tingjun Hou:
PROTAC-DB 2.0: an updated database of PROTACs. Nucleic Acids Res. 51(D1): 1367-1372 (2023) - [c1]Xixi Yang, Li Fu, Yafeng Deng, Yuansheng Liu, Dongsheng Cao, Xiangxiang Zeng:
GPMO: Gradient Perturbation-Based Contrastive Learning for Molecule Optimization. IJCAI 2023: 4940-4948 - [i3]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:
Comprehensive evaluation of deep and graph learning on drug-drug interactions prediction. CoRR abs/2306.05257 (2023) - 2022
- [j63]Mingyang Wang, Huiyong Sun, Jike Wang, Jinping Pang, Xin Chai, Lei Xu, Honglin Li, Dongsheng Cao, Tingjun Hou:
Comprehensive assessment of deep generative architectures for de novo drug design. Briefings Bioinform. 23(1) (2022) - [j62]Xi Yang, Wei Wang, Jing-Lun Ma, Yan-Long Qiu, Kai Lu, Dong-Sheng Cao, Chengkun Wu:
BioNet: a large-scale and heterogeneous biological network model for interaction prediction with graph convolution. Briefings Bioinform. 23(1) (2022) - [j61]Dejun Jiang, Huiyong Sun, Jike Wang, Chang-Yu Hsieh, Yuquan Li, Zhenxing Wu, Dong-Sheng Cao, Jian Wu, Tingjun Hou:
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. Briefings Bioinform. 23(2) (2022) - [j60]Xiao-Chen Zhang, Jia-Cai Yi, Guo-Ping Yang, Chengkun Wu, Tingjun Hou, Dong-Sheng Cao:
ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images. Briefings Bioinform. 23(2) (2022) - [j59]Zhenxing Wu, Dejun Jiang, Jike Wang, Xujun Zhang, Hongyan Du, Lurong Pan, Chang-Yu Hsieh, Dongsheng Cao, Tingjun Hou:
Knowledge-based BERT: a method to extract molecular features like computational chemists. Briefings Bioinform. 23(3) (2022) - [j58]Zhe Wang, Hong Pan, Huiyong Sun, Yu Kang, Huanxiang Liu, Dongsheng Cao, Tingjun Hou:
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation. Briefings Bioinform. 23(5) (2022) - [j57]Jia-Cai Yi, Chengkun Wu, Xiao-Chen Zhang, Xinyi Xiao, Yanlong Qiu, Wentao Zhao, Tingjun Hou, Dong-Sheng Cao:
MICER: a pre-trained encoder-decoder architecture for molecular image captioning. Bioinform. 38(19): 4562-4572 (2022) - [j56]Ning-Ning Wang, Xiang-Gui Wang, Guo-Li Xiong, Zi-Yi Yang, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao:
Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes. J. Cheminformatics 14(1): 23 (2022) - [j55]Gaoang Wang, Jiahui Yu, Hongyan Du, Chao Shen, Xujun Zhang, Yifei Liu, Yangyang Zhang, Dong-Sheng Cao, Peichen Pan, Tingjun Hou:
VGSC-DB: an online database of voltage-gated sodium channels. J. Cheminformatics 14(1): 75 (2022) - [j54]Liu-Xia Zhang, Jie Dong, Hui Wei, Shao-Hua Shi, Ai-Ping Lu, Gui-Ming Deng, Dong-Sheng Cao:
TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine. J. Cheminformatics 14(1): 89 (2022) - [j53]Jiahui Yu, Jike Wang, Hong Zhao, Junbo Gao, Yu Kang, Dong-Sheng Cao, Zhe Wang, Tingjun Hou:
Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism. J. Chem. Inf. Model. 62(12): 2973-2986 (2022) - [j52]Jialu Wu, Junmei Wang, Zhenxing Wu, Shengyu Zhang, Yafeng Deng, Yu Kang, Dong-Sheng Cao, Chang-Yu Hsieh, Tingjun Hou:
ALipSol: An Attention-Driven Mixture-of-Experts Model for Lipophilicity and Solubility Prediction. J. Chem. Inf. Model. 62(23): 5975-5987 (2022) - [j51]Guo-Li Xiong, Zhi-Jiang Yang, Jia-Cai Yi, Ningning Wang, Lei Wang, Huimin Zhu, Chengkun Wu, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dongsheng Cao:
DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety. Nucleic Acids Res. 50(D1): 1200-1207 (2022) - [i2]Xiaoqin Pan, Xuan Lin, Dongsheng Cao, Xiangxiang Zeng, Philip S. Yu, Lifang He, Ruth Nussinov, Feixiong Cheng:
Deep learning for drug repurposing: methods, databases, and applications. CoRR abs/2202.05145 (2022) - 2021
- [j50]Jie Dong, Min-Feng Zhu, Yong-Huan Yun, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao:
BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study. Briefings Bioinform. 22(1): 474-484 (2021) - [j49]Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Haiyang Zhong, Gaoang Wang, Xiaojun Yao, Lei Xu, Dong-Sheng Cao, Tingjun Hou:
Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions. Briefings Bioinform. 22(1): 497-514 (2021) - [j48]Chao Shen, Ye Hu, Zhe Wang, Xujun Zhang, Jinping Pang, Gaoang Wang, Haiyang Zhong, Lei Xu, Dong-Sheng Cao, Tingjun Hou:
Beware of the generic machine learning-based scoring functions in structure-based virtual screening. Briefings Bioinform. 22(3) (2021) - [j47]Jike Wang, Dong-Sheng Cao, Cunchen Tang, Lei Xu, Qiaojun He, Bo Yang, Xi Chen, Huiyong Sun, Tingjun Hou:
DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. Briefings Bioinform. 22(3) (2021) - [j46]Guo-Li Xiong, Wen-Ling Ye, Chao Shen, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao:
Improving structure-based virtual screening performance via learning from scoring function components. Briefings Bioinform. 22(3) (2021) - [j45]Zi-Yi Yang, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao:
Scopy: an integrated negative design python library for desirable HTS/VS database design. Briefings Bioinform. 22(3) (2021) - [j44]Zhenxing Wu, Minfeng Zhu, Yu Kang, Elaine Lai-Han Leung, Tailong Lei, Chao Shen, Dejun Jiang, Zhe Wang, Dong-Sheng Cao, Tingjun Hou:
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. 22(4) (2021) - [j43]Zi-Yi Yang, Jie Dong, Zhi-Jiang Yang, Mingzhu Yin, Hong-Li Jiang, Ai-Ping Lu, Xiang Chen, Tingjun Hou, Dong-Sheng Cao:
ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds. Briefings Bioinform. 22(4) (2021) - [j42]Li Fu, Zi-Yi Yang, Zhi-Jiang Yang, Ming-Zhu Yin, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao:
QSAR-assisted-MMPA to expand chemical transformation space for lead optimization. Briefings Bioinform. 22(5) (2021) - [j41]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:
Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening? Briefings Bioinform. 22(5) (2021) - [j40]Zhenxing Wu, Dejun Jiang, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Dong-Sheng Cao, Tingjun Hou:
Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method. Briefings Bioinform. 22(5) (2021) - [j39]Zi-Yi Yang, Zhi-Jiang Yang, Yue Zhao, Ming-Zhu Yin, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao:
PySmash: Python package and individual executable program for representative substructure generation and application. Briefings Bioinform. 22(5) (2021) - [j38]Qing Ye, Xin Chai, Dejun Jiang, Liu Yang, Chao Shen, Xujun Zhang, Dan Li, Dong-Sheng Cao, Tingjun Hou:
Identification of active molecules against Mycobacterium tuberculosis through machine learning. Briefings Bioinform. 22(5) (2021) - [j37]Chengkun Wu, Xiao-Chen Zhang, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao:
Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules. Briefings Bioinform. 22(6) (2021) - [j36]Xiao-Chen Zhang, Chengkun Wu, Zhi-Jiang Yang, Zhen-Xing Wu, Jia-Cai Yi, Chang-Yu Hsieh, Tingjun Hou, Dong-Sheng Cao:
MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction. Briefings Bioinform. 22(6) (2021) - [j35]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:
Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors. Briefings Bioinform. 22(6) (2021) - [j34]Jike Wang, Huiyong Sun, Jiawen Chen, Dejun Jiang, Zhe Wang, Zhenxing Wu, Xi Chen, Dong-Sheng Cao, Tingjun Hou:
DeepChargePredictor: a web server for predicting QM-based atomic charges via state-of-the-art machine-learning algorithms. Bioinform. 37(22): 4255-4257 (2021) - [j33]Xujun Zhang, Chao Shen, Xueying Guo, Zhe Wang, Gaoqi Weng, Qing Ye, Gaoang Wang, Qiaojun He, Bo Yang, Dong-Sheng Cao, Tingjun Hou:
ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions. J. Cheminformatics 13(1): 6 (2021) - [j32]Dejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Zhe Wang, Chao Shen, Dong-Sheng Cao, Jian Wu, Tingjun Hou:
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models. J. Cheminformatics 13(1): 12 (2021) - [j31]Chao Shen, Xueping Hu, Junbo Gao, Xujun Zhang, Haiyang Zhong, Zhe Wang, Lei Xu, Yu Kang, Dong-Sheng Cao, Tingjun Hou:
The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction. J. Cheminformatics 13(1): 81 (2021) - [j30]Zi-Yi Yang, Li Fu, Ai-Ping Lu, Shao Liu, Tingjun Hou, Dong-Sheng Cao:
Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion. J. Cheminformatics 13(1): 86 (2021) - [j29]Hongyan Du, Junbo Gao, Gaoqi Weng, Jun-Jie Ding, Xin Chai, Jinping Pang, Yu Kang, Dan Li, Dong-Sheng Cao, Tingjun Hou:
CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors. Nucleic Acids Res. 49(Database-Issue): D1122-D1129 (2021) - [j28]Gaoqi Weng, Chao Shen, Dong-Sheng Cao, Junbo Gao, Xiaowu Dong, Qiaojun He, Bo Yang, Dan Li, Jian Wu, Tingjun Hou:
PROTAC-DB: an online database of PROTACs. Nucleic Acids Res. 49(Database-Issue): D1381-D1387 (2021) - [j27]Guo-Li Xiong, Zhenxing Wu, Jia-Cai Yi, Li Fu, Zhi-Jiang Yang, Chang-Yu Hsieh, Mingzhu Yin, Xiangxiang Zeng, Chengkun Wu, Ai-Ping Lu, Xiang Chen, Tingjun Hou, Dong-Sheng Cao:
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic Acids Res. 49(Webserver-Issue): 5-14 (2021) - [j26]Jike Wang, Chang-Yu Hsieh, Mingyang Wang, Xiaorui Wang, Zhenxing Wu, Dejun Jiang, Benben Liao, Xujun Zhang, Bo Yang, Qiaojun He, Dongsheng Cao, Xi Chen, Tingjun Hou:
Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning. Nat. Mach. Intell. 3(10): 914-922 (2021) - 2020
- [j25]Jike Wang, Dong-Sheng Cao, Cunchen Tang, Xi Chen, Huiyong Sun, Tingjun Hou:
Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning. Bioinform. 36(18): 4721-4728 (2020) - [j24]Dejun Jiang, Tailong Lei, Zhe Wang, Chao Shen, Dong-Sheng Cao, Tingjun Hou:
ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning. J. Cheminformatics 12(1): 16 (2020) - [j23]Li Fu, Lu Liu, Zhi-Jiang Yang, Pan Li, Jun-Jie Ding, Yong-Huan Yun, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao:
Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis. J. Chem. Inf. Model. 60(1): 63-76 (2020) - [j22]Zi-Yi Yang, Jie Dong, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao:
Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays. J. Chem. Inf. Model. 60(4): 2031-2043 (2020) - [j21]Wen-Ling Ye, Chao Shen, Guo-Li Xiong, Jun-Jie Ding, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao:
Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring. J. Chem. Inf. Model. 60(9): 4216-4230 (2020)
2010 – 2019
- 2019
- [j20]Zi-Yi 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:
Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery. J. Chem. Inf. Model. 59(9): 3714-3726 (2019) - [j19]Zhenxing Wu, Tailong Lei, Chao Shen, Zhe Wang, Dong-Sheng Cao, Tingjun Hou:
ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches. J. Chem. Inf. Model. 59(11): 4587-4601 (2019) - 2018
- [j18]Zhi-Zhong Liu, Jia-Wei Huang, Yong Wang, Dong-Sheng Cao:
ECoFFeS: A Software Using Evolutionary Computation for Feature Selection in Drug Discovery. IEEE Access 6: 20950-20963 (2018) - [j17]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. J. Cheminformatics 10(1): 16:1-16:11 (2018) - [j16]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. J. Cheminformatics 10(1): 29:1-29:11 (2018) - [j15]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. J. Cheminformatics 10(1): 34:1-34:8 (2018) - [i1]Zhuyifan Ye, Yilong Yang, Xiaoshan Li, Dong-Sheng Cao, Defang Ouyang:
An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction. CoRR abs/1812.09073 (2018) - 2017
- [j14]Jie Dong, Zhi-Jiang Yao, Min-Feng Zhu, Ning-Ning Wang, Ben Lu, Alex F. Chen, Aiping Lu, Hongyu Miao, Wen-Bin Zeng, Dong-Sheng Cao:
ChemSAR: an online pipelining platform for molecular SAR modeling. J. Cheminformatics 9(1): 27:1-27:13 (2017) - 2016
- [j13]Zhi-Jiang Yao, Jie Dong, Yu-Jing Che, Min-Feng Zhu, Ming Wen, Ning-Ning Wang, Shan Wang, Aiping Lu, Dong-Sheng Cao:
TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models. J. Comput. Aided Mol. Des. 30(5): 413-424 (2016) - [j12]Jie Dong, Zhi-Jiang Yao, Ming Wen, Min-Feng Zhu, Ning-Ning Wang, Hongyu Miao, Aiping Lu, Wen-Bin Zeng, Dong-Sheng Cao:
BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions. J. Cheminformatics 8(1): 34:1-34:13 (2016) - [j11]Ning-Ning Wang, Jie Dong, Yin-Hua Deng, Min-Feng Zhu, Ming Wen, Zhiqiang Yao, Aiping Lu, Jian-Bing Wang, Dong-Sheng Cao:
ADME Properties Evaluation in Drug Discovery: Prediction of Caco-2 Cell Permeability Using a Combination of NSGA-II and Boosting. J. Chem. Inf. Model. 56(4): 763-773 (2016) - 2015
- [j10]Dong-Sheng Cao, Nan Xiao, Qing-Song Xu, Alex F. Chen:
Rcpi: R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions. Bioinform. 31(2): 279-281 (2015) - [j9]Nan Xiao, Dong-Sheng Cao, Min-Feng Zhu, Qing-Song Xu:
protr/ProtrWeb: R package and web server for generating various numerical representation schemes of protein sequences. Bioinform. 31(11): 1857-1859 (2015) - [j8]Jie Dong, Dong-Sheng Cao, Hongyu Miao, Shao Liu, Bai-Chuan Deng, Yong-Huan Yun, Ning-Ning Wang, Aiping Lu, Wen-Bin Zeng, Alex F. Chen:
ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation. J. Cheminformatics 7: 60:1-60:10 (2015) - 2013
- [j7]Dong-Sheng Cao, Qing-Song Xu, Yi-Zeng Liang:
propy: a tool to generate various modes of Chou's PseAAC. Bioinform. 29(7): 960-962 (2013) - [j6]Dong-Sheng Cao, Qing-Song Xu, Qian-Nan Hu, Yi-Zeng Liang:
ChemoPy: freely available python package for computational biology and chemoinformatics. Bioinform. 29(8): 1092-1094 (2013) - [j5]Dong-Sheng Cao, Yi-Zeng Liang, Jun Yan, Gui-Shan Tan, Qing-Song Xu, Shao Liu:
PyDPI: Freely Available Python Package for Chemoinformatics, Bioinformatics, and Chemogenomics Studies. J. Chem. Inf. Model. 53(11): 3086-3096 (2013) - 2011
- [j4]Qian-Nan Hu, Zhe Deng, Huanan Hu, Dong-Sheng Cao, Yi-Zeng Liang:
RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity. Bioinform. 27(17): 2465-2467 (2011) - [j3]Dongsheng Cao, Yizeng Liang, Qingsong Xu, Yifeng Yun, Hongdong Li:
Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features. J. Comput. Aided Mol. Des. 25(1): 67-80 (2011) - [j2]Hong-Dong Li, Yi-Zeng Liang, Qing-Song Xu, Dong-Sheng Cao, Bin-Bin Tan, Bai-Chuan Deng, Chen-Chen Lin:
Recipe for Uncovering Predictive Genes Using Support Vector Machines Based on Model Population Analysis. IEEE ACM Trans. Comput. Biol. Bioinform. 8(6): 1633-1641 (2011) - 2010
- [j1]Dong-Sheng Cao, Yi-Zeng Liang, Qing-Song Xu, Hong-Dong Li, Xian Chen:
A new strategy of outlier detection for QSAR/QSPR. J. Comput. Chem. 31(3): 592-602 (2010)
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last updated on 2024-07-25 22:24 CEST by the dblp team
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