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Estimation of acute oral toxicity in rat using local lazy learning
2014-05-16
发表期刊JOURNAL OF CHEMINFORMATICS (IF:7.1[JCR-2023],9.3[5-Year])
ISSN1758-2946
卷号6
发表状态已发表
DOI10.1186/1758-2946-6-26
摘要Background: Acute toxicity means the ability of a substance to cause adverse effects within a short period following dosing or exposure, which is usually the first step in the toxicological investigations of unknown substances. The median lethal dose, LD50, is frequently used as a general indicator of a substance's acute toxicity, and there is a high demand on developing non-animal-based prediction of LD50. Unfortunately, it is difficult to accurately predict compound LD50 using a single QSAR model, because the acute toxicity may involve complex mechanisms and multiple biochemical processes.
关键词Acute toxicity Local lazy learning Applicability domain Consensus model
收录类别SCI
语种英语
资助项目National Natural Science Foundation of China[81220108025] ; National Natural Science Foundation of China[81001399] ; National Natural Science Foundation of China[2013ZX09507001]
WOS研究方向Chemistry ; Computer Science
WOS类目Chemistry, Multidisciplinary ; Computer Science, Information Systems ; Computer Science, Interdisciplinary Applications
WOS记录号WOS:000336991100001
出版者BMC
WOS关键词PLASMA-PROTEIN BINDING ; APPLICABILITY DOMAIN ; QSAR ; PREDICTION ; MODELS
原始文献类型Article
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文献类型期刊论文
条目标识符https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/2402
专题免疫化学研究所_特聘教授组_蒋华良组
生命科学与技术学院_特聘教授组_陈凯先组
通讯作者Zheng, Mingyue
作者单位
1.Yantai Univ, Sch Pharm, Dept Med Chem, Yantai 264005, Shandong, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China
3.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 200031, Peoples R China
4.E China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China
推荐引用方式
GB/T 7714
Lu, Jing,Peng, Jianlong,Wang, Jinan,et al. Estimation of acute oral toxicity in rat using local lazy learning[J]. JOURNAL OF CHEMINFORMATICS,2014,6.
APA Lu, Jing.,Peng, Jianlong.,Wang, Jinan.,Shen, Qiancheng.,Bi, Yi.,...&Chen, Kaixian.(2014).Estimation of acute oral toxicity in rat using local lazy learning.JOURNAL OF CHEMINFORMATICS,6.
MLA Lu, Jing,et al."Estimation of acute oral toxicity in rat using local lazy learning".JOURNAL OF CHEMINFORMATICS 6(2014).
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