Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Ting-Jun Hou"'
Autor:
Su-Qing Yang, Liu-Xia Zhang, You-Jin Ge, Jin-Wei Zhang, Jian-Xin Hu, Cheng-Ying Shen, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-14 (2023)
Abstract Identification and validation of bioactive small-molecule targets is a significant challenge in drug discovery. In recent years, various in-silico approaches have been proposed to expedite time- and resource-consuming experiments for target
Externí odkaz:
https://doaj.org/article/229fb8e30b5541ada5008271d2b978f1
Autor:
Ning-Ning Wang, Xiang-Gui Wang, Guo-Li Xiong, Zi-Yi Yang, Ai-Ping Lu, Xiang Chen, Shao Liu, Ting-Jun Hou, Dong-Sheng Cao
Publikováno v:
Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-16 (2022)
Abstract Drug–drug interaction (DDI) often causes serious adverse reactions and thus results in inestimable economic and social loss. Currently, comprehensive DDI evaluation has become a major challenge in pharmaceutical research due to the time-co
Externí odkaz:
https://doaj.org/article/98709347552a4a3eb5953b566597cb22
Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-14 (2021)
Abstract In the process of drug discovery, the optimization of lead compounds has always been a challenge faced by pharmaceutical chemists. Matched molecular pair analysis (MMPA), a promising tool to efficiently extract and summarize the relationship
Externí odkaz:
https://doaj.org/article/6518b43b466d4318a475069b8464fedd
Autor:
Xiao-Chen Zhang, Cheng-Kun Wu, Jia-Cai Yi, Xiang-Xiang Zeng, Can-Qun Yang, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Publikováno v:
Research, Vol 2022 (2022)
Accurate prediction of pharmacological properties of small molecules is becoming increasingly important in drug discovery. Traditional feature-engineering approaches heavily rely on handcrafted descriptors and/or fingerprints, which need extensive hu
Externí odkaz:
https://doaj.org/article/3dab9680aedf49068e03db9aa506362c
Autor:
Yan-Jing Duan, Li Fu, Xiao-Chen Zhang, Teng-Zhi Long, Yuan-Hang He, Zhao-Qian Liu, Ai-Ping Lu, Ya-Feng Deng, Chang-Yu Hsieh, Ting-Jun Hou, Dong-Sheng Cao
Publikováno v:
Journal of Chemical Information and Modeling. 63:2345-2359
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ae9312607a4f358bb62556b34773a7a
https://doi.org/10.1021/acs.jcim.2c01564
https://doi.org/10.1021/acs.jcim.2c01564
Autor:
Jin-ping Pang, Xue-ping Hu, Yun-xia Wang, Jia-ning Liao, Xin Chai, Xu-wen Wang, Chao Shen, Jia-jia Wang, Lu-lu Zhang, Xin-yue Wang, Feng Zhu, Qin-jie Weng, Lei Xu, Ting-jun Hou, Dan Li
Publikováno v:
Acta Pharmacologica Sinica
Synthetic glucocorticoids (GCs) have been widely used in the treatment of a broad range of inflammatory diseases, but their clinic use is limited by undesired side effects such as metabolic disorders, osteoporosis, skin and muscle atrophies, mood dis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f80f82610964ab93e5335487427c6ce
http://europepmc.org/articles/PMC8809242
http://europepmc.org/articles/PMC8809242
Publikováno v:
Briefings in Bioinformatics. 24
Identification of potential targets for known bioactive compounds and novel synthetic analogs is of considerable significance. In silico target fishing (TF) has become an alternative strategy because of the expensive and laborious wet-lab experiments
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0dfeaec64060826e1136c5fd3e4274fc
https://doi.org/10.1093/bib/bbad014
https://doi.org/10.1093/bib/bbad014
Autor:
Xin Chai, Xue-ping Hu, Xin-yue Wang, Hua-ting Wang, Jin-ping Pang, Wen-fang Zhou, Jia-ning Liao, Lu-hu Shan, Xiao-hong Xu, Lei Xu, Hong-guang Xia, Ting-jun Hou, Dan Li
Publikováno v:
Acta Pharmacologica Sinica.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::670edddbef49c0fc0892c5fab83b3834
https://doi.org/10.1038/s41401-022-01038-7
https://doi.org/10.1038/s41401-022-01038-7
Autor:
Lei Wang, Shao-Hua Shi, Hui Li, Xiang-Xiang Zeng, Su-You Liu, Zhao-Qian Liu, Ya-Feng Deng, Ai-Ping Lu, Ting-Jun Hou, Dong-Sheng Cao
Publikováno v:
Briefings in Bioinformatics. 24
Machine learning-based scoring functions (MLSFs) have become a very favorable alternative to classical scoring functions because of their potential superior screening performance. However, the information of negative data used to construct MLSFs was
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f8a36483fffc449ccc53792721ca068
https://doi.org/10.1093/bib/bbac626
https://doi.org/10.1093/bib/bbac626
Autor:
Teng-Zhi Long, Shao-Hua Shi, Shao Liu, Ai-Ping Lu, Zhao-Qian Liu, Min Li, Ting-Jun Hou, Dong-Sheng Cao
Publikováno v:
Journal of chemical information and modeling. 63(1)
Hematotoxicity has been becoming a serious but overlooked toxicity in drug discovery. However, only a few
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b725b9b5cacdbd953cae8273c21ebd5
https://pubmed.ncbi.nlm.nih.gov/36472475
https://pubmed.ncbi.nlm.nih.gov/36472475