Ai-Ping Lu

According to our database, Ai-Ping Lu authored at least 24 papers between 2018 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences.

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

J. Cheminformatics, December, 2023

Improved GNNs for Log <i>D</i>_7.4 Prediction by Transferring Knowledge from Low-Fidelity Data.

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

J. Chem. Inf. Model., April, 2023

Reducing false positive rate of docking-based virtual screening by active learning.

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

Briefings Bioinform., January, 2023

Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches.

Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu, Min Li, Tingjun Hou, Dong-Sheng Cao

J. Chem. Inf. Model., 2023

2022

DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety.

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

Nucleic Acids Res., 2022

TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine.

Liu-Xia Zhang, Jie Dong, Hui Wei, Shao-Hua Shi, Ai-Ping Lu, Gui-Ming Deng, Dong-Sheng Cao

J. Cheminformatics, 2022

Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes.

Ning-Ning Wang, Xiang-Gui Wang, Guo-Li Xiong, Zi-Yi Yang, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao

J. Cheminformatics, 2022

2021

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties.

Guo-Li Xiong, Zhenxing Wu, Jiacai 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

Nucleic Acids Res., 2021

Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion.

Zi-Yi Yang, Li Fu, Ai-Ping Lu, Shao Liu, Tingjun Hou, Dong-Sheng Cao

J. Cheminformatics, 2021

Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors.

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

Briefings Bioinform., 2021

PySmash: Python package and individual executable program for representative substructure generation and application.

Zi-Yi Yang, Zhi-Jiang Yang, Yue Zhao, Mingzhu Yin, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao

Briefings Bioinform., 2021

Scopy: an integrated negative design python library for desirable HTS/VS database design.

Zi-Yi Yang, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao

Briefings Bioinform., 2021

ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds.

Zi-Yi Yang, Jie Dong, Zhi-Jiang Yang, Mingzhu Yin, Hong-Li Jiang, Ai-Ping Lu, Xiang Chen, Tingjun Hou, Dong-Sheng Cao

Briefings Bioinform., 2021

Improving structure-based virtual screening performance via learning from scoring function components.

Guo-Li Xiong, Wenling Ye, Chao Shen, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao

Briefings Bioinform., 2021

Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules.

Chengkun Wu, Xiao-Chen Zhang, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao

Briefings Bioinform., 2021

QSAR-assisted-MMPA to expand chemical transformation space for lead optimization.

Li Fu, Zi-Yi Yang, Zhi-Jiang Yang, Mingzhu Yin, Ai-Ping Lu, Xiang Chen, Shao Liu, Tingjun Hou, Dong-Sheng Cao

Briefings Bioinform., 2021

BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study.

Jie Dong, Min-Feng Zhu, Yong-Huan Yun, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao

Briefings Bioinform., 2021

2020

Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring.

Wenling Ye, Chao Shen, Guo-Li Xiong, Jun-Jie Ding, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao

J. Chem. Inf. Model., 2020

Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays.

Zi-Yi Yang, Jie Dong, Zhi-Jiang Yang, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao

J. Chem. Inf. Model., 2020

Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis.

Li Fu, Lu Liu, Zhi-Jiang Yang, Pan Li, Jun-Jie Ding, Yong-Huan Yun, Ai-Ping Lu, Tingjun Hou, Dong-Sheng Cao

J. Chem. Inf. Model., 2020

2019

Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery.

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

J. Chem. Inf. Model., 2019

2018

HAMdb: a database of human autophagy modulators with specific pathway and disease information.

Ning-Ning Wang, Jie Dong, Lin Zhang, Defang Ouyang, Yan Cheng, Alex F. Chen, Ai-Ping Lu, Dong-Sheng Cao

J. Cheminformatics, 2018

PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions.

Jie Dong, Zhi-Jiang Yao, Lin Zhang, Feijun Luo, Qinlu Lin, Ai-Ping Lu, Alex F. Chen, Dong-Sheng Cao

J. Cheminformatics, 2018

ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database.

Jie Dong, Ning-Ning Wang, Zhi-Jiang Yao, Lin Zhang, Yan Cheng, Defang Ouyang, Ai-Ping Lu, Dong-Sheng Cao

J. Cheminformatics, 2018