Ai-Ping Lu

32 papers Journal 30Unranked 2
YearRankTypeTitle / Venue / Authors
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
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
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
DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety.
Nucleic Acids Res.
Guo-Li Xiong, Zhi-Jiang Yang, Jiacai Yi, Ningning Wang, Lei Wang, Huimin Zhu, Chengkun Wu, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dongsheng 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
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
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
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
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
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
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
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
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
2017 J jnl
MOST: most-similar ligand based approach to target prediction.
BMC Bioinform.
Tao Huang, Hong Mi, Cheng-Yuan Lin, Ling Zhao, Linda L. D. Zhong, Fengbin Liu, Ge Zhang, Ai-Ping Lu, Zhaoxiang Bian, Shuhai Lin, Man Zhang, Yanhong Li, Dongdong Hu, Chung-Wah Cheng
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
2014 — conf
Based on bioinformatics approach to explore the novel targets and activity of multiple ingredients in Shuang-Huang-Lian (Using bioinformatics approach to explore the machanisms of a modern formula).
BIBM
Hao Gu, Jian Li, Qi Zhang, Qiang Li, Miao Jiang, Ai-Ping Lu, Chengke Cai, Yun Wang
2013 — conf
Using text mining to understand traditional Chinese medicine pathogenesis of nonalcoholic fatty liver disease.
BIBM
Hui-qin Zhang, Jian Li, Guang Zheng, Miao Jiang, Li Li, Yong Tan, Ai-Ping Lu