Publications by authors named "Ai Ping Lu"

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Pristimerin Promotes Ubiquitination of HSPA8 and Activates the VAV1/ERK Pathway to Suppress TNBC Proliferation.
Qin-Wen Liu, Qi-Ling Fan, Jia-Ying Chen, Jing-Xin Liu, Yi Li, Qian Luo, Ai-Ping Lu

Adv Sci (Weinh)· March 2025

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Extract Alleviates NASH in Mice: Exploration of Inflammation and Gut Microbiota.
Feng-Yan Jiang, Si-Ran Yue, Yi-Yun Tan, Nan Tang, Yue-Song Xu, Ai-Ping Lu

Nutrients· June 2024

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PatentNetML: A Novel Framework for Predicting Key Compounds in Patents Using Network Science and Machine Learning.
Ting-Fei Zhu, Rong Qian, Xiao Wei, Ai-Ping Lu, Dong-Sheng Cao

J Med Chem· January 2024

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ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization.
Jia-Cai Yi, Zi-Yi Yang, Wen-Tao Zhao, Zhi-Jiang Yang, Xiao-Chen Zhang, Ai-Ping Lu

Brief Bioinform· January 2024

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Improved GNNs for Log  Prediction by Transferring Knowledge from Low-Fidelity Data.
Yan-Jing Duan, Li Fu, Xiao-Chen Zhang, Teng-Zhi Long, Yuan-Hang He, Ai-Ping Lu

J Chem Inf Model· April 2023

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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, Ai-Ping Lu

J Cheminform· April 2023

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Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches.
Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu

J Chem Inf Model· January 2023

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Reducing false positive rate of docking-based virtual screening by active learning.
Lei Wang, Shao-Hua Shi, Hui Li, Xiang-Xiang Zeng, Su-You Liu, Ai-Ping Lu

Brief Bioinform· January 2023

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Pushing the Boundaries of Molecular Property Prediction for Drug Discovery with Multitask Learning BERT Enhanced by SMILES Enumeration.
Xiao-Chen Zhang, Cheng-Kun Wu, Jia-Cai Yi, Xiang-Xiang Zeng, Can-Qun Yang, Ai-Ping Lu

Research (Wash D C)· December 2022

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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

J Cheminform· December 2022

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Appraisal of treatment outcomes in integrative medicine using metabonomics: Taking non-alcoholic fatty liver disease with spleen deficiency syndrome as an example.
Liang Dai, Jing-Juan Xu, Wen-Jun Zhou, Ai-Ping Lü, Guang Ji

J Integr Med· November 2022

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The improvement of nonalcoholic steatohepatitis by Poria cocos polysaccharides associated with gut microbiota and NF-κB/CCL3/CCR1 axis.
Yi-Yun Tan, Si-Ran Yue, Ai-Ping Lu, Lei Zhang, Guang Ji

Phytomedicine· August 2022

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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

J Cheminform· April 2022

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Detecting Critical Functional Ingredients Group and Mechanism of Xuebijing Injection in Treating Sepsis.
Qi- Wu, Chuan-Hui Yin, Yi Li, Jie-Qi Cai, Han-Yun Yang, Ai-Ping Lu

Front Pharmacol· December 2021

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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, Ai-Ping Lu

Brief Bioinform· November 2021

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Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules.
Cheng-Kun Wu, Xiao-Chen Zhang, Zhi-Jiang Yang, Ai-Ping Lu, Ting-Jun Hou

Brief Bioinform· November 2021

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Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion.
Zi-Yi Yang, Li Fu, Ai-Ping Lu, Shao Liu, Ting-Jun Hou

J Cheminform· November 2021

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QSAR-assisted-MMPA to expand chemical transformation space for lead optimization.
Li Fu, Zi-Yi Yang, Zhi-Jiang Yang, Ming-Zhu Yin, Ai-Ping Lu

Brief Bioinform· September 2021

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PySmash: Python package and individual executable program for representative substructure generation and application.
Zi-Yi Yang, Zhi-Jiang Yang, Yue Zhao, Ming-Zhu Yin, Ai-Ping Lu

Brief Bioinform· September 2021

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Efficacy of Huaiqihuang granules as adjuvant therapy for bronchial asthma in children: a real-world study.
Hui-Min Wang, Chuan-He Liu, Chang-Shan Liu, Ying Wang, Zhi-Ying Han, Ai-Ping Lu

Zhongguo Dang Dai Er Ke Za Zhi· September 2021

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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

Brief Bioinform· July 2021

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Benchmarking the mechanisms of frequent hitters: limitation of PAINS alerts.
Zi-Yi Yang, Zhi-Jiang Yang, Jun-Hong He, Ai-Ping Lu, Shao Liu

Drug Discov Today· June 2021

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A metabolic data-driven systems pharmacology strategy for decoding and validating the mechanism of Compound Kushen Injection against HCC.
Ke-Xin Wang, Yu-Peng Chen, Ai-Ping Lu, Guan-Hua Du, Xue-Mei Qin

J Ethnopharmacol· June 2021

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Computational Bioactivity Fingerprint Similarities To Navigate the Discovery of Novel Scaffolds.
Guo-Li Xiong, Yue Zhao, Lu Liu, Zhong-Ye Ma, Ai-Ping Lu

J Med Chem· June 2021

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A Novel Strategy for Decoding and Validating the Combination Principles of Huanglian Jiedu Decoction From Multi-Scale Perspective.
Ke-Xin Wang, Yao Gao, Wen-Xia Gong, Xiao-Feng Ye, Liu-Yi Fan, Ai-Ping Lu

Front Pharmacol· December 2020

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