Dong-Sheng Cao - Dissemin

All papers authored by Dong-Sheng Cao

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2023 Jike Wang, Yundian Zeng

, Huiyong Sun

, Junmei Wang, Xiaorui Wang

, Ruofan Jin, Mingyang Wang, Xujun Zhang, Dongsheng Cao

, Xi Chen, Chang-Yu Hsieh

, Tingjun Hou

Molecular Generation with Reduced Labeling through Constraint Architecture

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This paper is made freely available by the publisher.

Zhenxing Wu, Jike Wang, Hongyan Du, Dejun Jiang, Yu Kang

, Dan Li, Peichen Pan

, Yafeng Deng, Dongsheng Cao

, Chang-Yu Hsieh

, Tingjun Hou

Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking

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2022 Jike Wang, Xiaorui Wang

, Huiyong Sun

, Mingyang Wang, Yundian Zeng

, Dejun Jiang, Zhenxing Wu, Zeyi Liu, Ben Liao, Xiaojun Yao

, Chang-Yu Hsieh, Dongsheng Cao

, Xi Chen, Tingjun Hou

ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery

Download from pubs.acs.org

Xujun Zhang, Chao Shen

, Ben Liao, Dejun Jiang, Jike Wang, Zhenxing Wu, Hongyan Du, Tianyue Wang, Wenbo Huo, Lei Xu, Dongsheng Cao

, Chang-Yu Hsieh, Tingjun Hou

TocoDecoy: A New Approach to Design Unbiased Datasets for Training and Benchmarking Machine-Learning Scoring Functions

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2021 Dejun Jiang, Chang-Yu Hsieh, Zhenxing Wu

, Yu Kang, Jike Wang, Ercheng Wang, Ben Liao, Chao Shen, Lei Xu, Jian Wu, Dongsheng Cao

, Tingjun Hou

InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein–Ligand Interaction Predictions

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Zhenxing Wu

, Dejun Jiang, Jike Wang, Chang-Yu Hsieh, Dongsheng Cao

, Tingjun Hou

Mining Toxicity Information from Large Amounts of Toxicity Data

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2019 Zi-Yi Yang, Zhi-Jiang Yang, Jie Dong

, 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

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2018 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

Download from link.springer.com

Jie Dong

, 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

Download from link.springer.com

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

Download from link.springer.com

Qianqian Zhao

, Nikhila Miriyala, Yan Su, Weijie Chen, Xuejiao Gao, Ling Shao, Ru Yan

, Haifeng Li

, Xiaojun Yao, Dongsheng Cao

, Yitao Wang, Defang Ouyang

Computer-Aided Formulation Design for a Highly Soluble Lutein–Cyclodextrin Multiple-Component Delivery System

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2017 Dong-Sheng Cao

, Zhen-Ke Deng, Min-Feng Zhu, Zhi-Jiang Yao, Jie Dong

, Rui-Gang Zhao

Ensemble partial least squares regression for descriptor selection, outlier detection, applicability domain assessment, and ensemble modeling in QSAR/QSPR modeling

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Jie Dong

, Zhi-Jiang Yao, Min-Feng Zhu, 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

Download from link.springer.com

Ning Wang, Chen Huang, Jie Dong

, Zhi-Jiang Yao, Min-Feng Zhu, Zhen-Ke Deng, Ben Lv, Ai-Ping Lu, Alex F. Chen, Dong-Sheng Cao

Predicting human intestinal absorption with modified random forest approach: a comprehensive evaluation of molecular representation, unbalanced data, and applicability domain issues

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All papers authored by Dong-Sheng Cao