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Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network Journal article
Journal of Cheminformatics, 2021,Volume: 13,Issue: 1
Authors:  Chen, Jiarui;  Si, Yain Whar;  Un, Chon Wai;  Siu, Shirley W.I.
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/12/08
Admet  Chemical Toxicity  Deep Learning  Graph Convolutional Neural Network  Mean Teacher  Semi-supervised Learning  Tox21  
Machine learning prediction of antiviral-HPV protein interactions for anti-HPV pharmacotherapy Journal article
Scientific Reports, 2021,Volume: 11,Issue: 1
Authors:  Lin, Hui Heng;  Zhang, Qian Ru;  Kong, Xiangjun;  Zhang, Liuping;  Zhang, Yong;  Tang, Yanyan;  Xu, Hongyan
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/01/14
LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds Journal article
Journal of Cheminformatics, 2021,Volume: 13,Issue: 1
Authors:  Shaikh, Faraz;  Tai, Hio Kuan;  Desai, Nirali;  Siu, Shirley W.I.
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Binding Affinity Prediction  Binding Interaction Fingerprint  Drug Repurposing  Fingerprint Similarity  Inverse Docking  Psovina  Random Forest  Target Prediction  
BING, a novel antimicrobial peptide isolated from Japanese medaka plasma, targets bacterial envelope stress response by suppressing cpxR expression Journal article
Scientific Reports, 2021,Volume: 11,Issue: 1
Authors:  Dong, Miao;  Kwok, Shu Hin;  Humble, Joseph L.;  Liang, Yimin;  Tang, Sze Wing;  Tang, Kin Hung;  Tse, Man Kit;  Lei, Josh Haipeng;  Ramalingam, Rajkumar;  Koohi-Moghadam, Mohamad;  Au, Doris Wai Ting;  Sun, Hongyan;  Lam, Yun Wah
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Discovery of a naturally occurring broad-spectrum inhibitor against gut bacterial β-glucuronidases from: Ginkgo biloba Journal article
Food and Function, 2021,Volume: 12,Issue: 22,Page: 11190-11201
Authors:  Bai, Yue;  Chen, Lu;  Wang, Pan Pan;  Tang, Yu Qiang;  Wu, Da Chang;  Zhang, Cui Li;  Zhou, Qi;  Yan, Ru;  Hou, Jie
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Small molecules targeting ubiquitination to control inflammatory diseases Journal article
Drug Discovery Today, 2021,Volume: 26,Issue: 10,Page: 2414-2422
Authors:  Li, Zheng Qing;  Chen, Xiuping;  Wang, Ying
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Inflammatory diseases  Small molecule modulator  Ubiquitin  Ubiquitination system  
Natural products targeting cancer cell dependency Journal article
Journal of Antibiotics, 2021,Volume: 74,Issue: 10,Page: 677-686
Authors:  Shi, Changxiang;  Yang, Eun Ju;  Tao, Shishi;  Ren, Guowen;  Mou, Pui Kei;  Shim, Joong Sup
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Brain network excitatory/inhibitory imbalance is a biomarker for drug-naive Rolandic epilepsy: A radiomics strategy Journal article
Epilepsia, 2021,Volume: 62,Issue: 10,Page: 2426-2438
Authors:  Dai, Xi Jian;  Liu, Heng;  Yang, Yang;  Wang, Yongjun;  Wan, Feng
Favorite |  | TC[WOS]:1 TC[Scopus]:1 | Submit date:2021/12/08
benign epilepsy of childhood with centro-temporal spikes  classification  cognitive network  dynamic causal modeling  excitation and inhibition imbalance  machine learning  Rolandic epilepsy  support vector machine  
Development and application of novel electrophilic warheads in target identification and drug discovery Journal article
Biochemical Pharmacology, 2021,Volume: 190
Authors:  Liu, Yue;  Lv, Shumin;  Peng, Lijie;  Xie, Chengliang;  Gao, Liqian;  Sun, Hongyan;  Lin, Ligen;  Ding, Ke;  Li, Zhengqiu
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Activity-based protein profiling  Amino acid residues  Covalent inhibitors  Electrophilic warhead  Protein target  
Human gut bacterial β-glucuronidase inhibition: An emerging approach to manage medication therapy Journal article
Biochemical Pharmacology, 2021,Volume: 190
Authors:  Wang, Panpan;  Jia, Yifei;  Wu, Rongrong;  Chen, Zhiqiang;  Yan, Ru
Favorite |  | TC[WOS]:2 TC[Scopus]:2 | Submit date:2021/12/08
Bacterial β-glucuronidases  Drug metabolism  Efficacy/toxicity  Inhibition