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Zhijiang Yang

China University of Geosciences

13H指数
56论文数
3.3K被引数
收录论文 22
发表时间
QuanDB: a quantum chemical property database towards enhancing 3D molecular representation learning ( vol 16 , 48 , 2024)
err2024-06-11
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errOAAI
errYang, Zhijiang; Huang, Tengxin; Pan, Li; Wang, Jingjing; Wang, Liangliang; Ding, Junjie; Xiao, Junhua
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QuanDB: a quantum chemical property database towards enhancing 3D molecular representation learning
err2024-04-29
err2
errOAAI
errYang, Zhijiang; Huang, Tengxin; Pan, Li; Wang, Jingjing; Wang, Liangliang; Ding, Junjie; Xiao, Junhua
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ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization
err2024-02-20
err3
errOAAI
errYi, Jia-Cai; Yang, Zi-Yi; Zhao, Wen-Tao; Yang, Zhi-Jiang; Zhang, Xiao-Chen; Wu, Cheng-Kun; Lu, Ai-Ping; Cao, Dong-Sheng
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Quantitative Predictive Studies of Multiple Biological Activities of TRPV1 Modulators
err2024-01-05
err1
errOAAI
errWei, Xinmiao; Huang, Tengxin; Yang, Zhijiang; Pan, Li; Wang, Liangliang; Ding, Junjie
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Discovery of novel TRPV1 modulators through machine learning-based molecular docking and molecular similarity searching
err2023-07-25
err5
PREAI
errWei, Xinmiao; Yang, Qifan; Yang, Zhijiang; Huang, Tengxin; Yang, Hang; Wang, Liangliang; Pan, Li; Ding, Junjie
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Simple and high-precision DFT-QSPR prediction of enthalpy of combustion for sesquiterpenoid high-energy-density fuels
errFUEL
IF7.5
err2023-01-01
err4
PREAI
errYang, Hang; Yang, Zhi-Jiang; Yang, Qi-Fan; Wei, Xin-Miao; Yuan, Yu-Quan; Wang, Liang-Liang; Hu, Yan-Fei; Ding, Jun-Jie
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DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety
err2021-10-11
err51
errOAAI
errXiong, Guoli; Yang, Zhijiang; Yi, Jiacai; Wang, Ningning; Wang, Lei; Zhu, Huimin; Wu, Chengkun; Lu, Aiping; Chen, Xiang; Liu, Shao; Hou, Tingjun; Cao, Dongsheng
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Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules
err2021-08-24
err29
PREAI
errWu, Cheng-Kun; Zhang, Xiao-Chen; Yang, Zhi-Jiang; Lu, Ai-Ping; Hou, Ting-Jun; Cao, Dong-Sheng
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Benchmarking the mechanisms of frequent hitters: limitation of PAINS alerts
err2021-06-01
err21
PREAI
errYang, Zi-Yi; Yang, Zhi-Jiang; He, Jun-Hong; Lu, Ai-Ping; Liu, Shao; Hou, Ting-Jun; Cao, Dong-Sheng
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MG-BERT: leveraging unsupervised atomic representation learning for molecular property predictionMg-bert: 利用无监督原子表示学习进行分子性质预测
err2021-05-05
err80
PREAI
errZhang, Xiao-Chen; Wu, Cheng-Kun; Yang, Zhi-Jiang; Wu, Zhen-Xing; Yi, Jia-Cai; Hsieh, Chang-Yu; Hou, Ting-Jun; Cao, Dong-Sheng
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Systematic comparison of ligand-based and structure-based virtual screening methods on poly (ADP-ribose) polymerase-1 inhibitors
err2021-05-03
err3
PREAI
errZhao, Yue; Wang, Xiang-Gui; Ma, Zhong-Ye; Xiong, Guo-Li; Yang, Zhi-Jiang; Cheng, Yan; Lu, Ai-Ping; Huang, Zhi-Jun; Cao, Dong-Sheng
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ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET propertiesADMETlab 2.0: 一个集成的在线平台,用于准确,全面地预测ADMET属性
err2021-04-24
err1.3K
errOAAI
errXiong, Guoli; Wu, Zhenxing; Yi, Jiacai; Fu, Li; Yang, Zhijiang; Hsieh, Changyu; Yin, Mingzhu; Zeng, Xiangxiang; Wu, Chengkun; Lu, Aiping; Chen, Xiang; Hou, Tingjun; Cao, Dongsheng
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QSAR-assisted-MMPA to expand chemical transformation space for lead optimization
err2021-01-09
err13
PREAI
errFu, Li; Yang, Zi-Yi; Yang, Zhi-Jiang; Yin, Ming-Zhu; Lu, Ai-Ping; Chen, Xiang; Liu, Shao; Hou, Ting-Jun; Cao, Dong-Sheng
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ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds
err2020-11-17
err8
PREAI
errYang, Zi-Yi; Dong, Jie; Yang, Zhi-Jiang; Yin, Mingzhu; Jiang, Hong-Li; Lu, Ai-Ping; Chen, Xiang; Hou, Ting-Jun; Cao, Dong-Sheng
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Scopy: an integrated negative design python library for desirable HTS/VS database design
err2020-09-07
err25
PREAI
errYang, Zi-Yi; Yang, Zhi-Jiang; Lu, Ai-Ping; Hou, Ting-Jun; Cao, Dong-Sheng
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Structural Analysis and Identification of False Positive Hits in Luciferase-Based Assays
err2020-03-23
err23
PREAI
errYang, Zi-Yi; Dong, Jie; Yang, Zhi-Jiang; Lu, Ai-Ping; Hou, Ting-Jun; Cao, Dong-Sheng
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