ADMETLAB: A PLATFORM FOR SYSTEMATIC ADMET EVALUATION BASED ON A COMPREHENSIVELY COLLECTED ADMET DATABASE

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成果类型：

期刊论文

作者：

Dong, Jie;Wang, Ning-Ning;Yao, Zhi-Jiang;Zhang, Lin;Cheng, Yan;...

通讯作者：

Cao, Dong-Sheng

作者机构：

[Cheng, Yan; Dong, Jie; Wang, Ning-Ning; Yao, Zhi-Jiang; Cao, Dong-Sheng] Cent South Univ, Xiangya Sch Pharmaceut Sci, 172 Tongzipo Rd, Changsha, Hunan, Peoples R China.

[Dong, Jie] Cent South Univ Forestry & Technol, Coll Food Sci & Engn, Hunan Key Lab Grain Oil Deep Proc & Qual Control, Natl Engn Lab Deep Proc Rice & Byprod, Changsha, Hunan, Peoples R China.

[Dong, Jie; Zhang, Lin] Cent South Univ Forestry & Technol, Hunan Key Lab Proc Food Special Med Purpose, Changsha, Hunan, Peoples R China.

[Cao, Dong-Sheng; Lu, Ai-Ping] Hong Kong Baptist Univ, Sch Chinese Med, Inst Advancing Translat Med Bone & Joint Dis, Hong Kong, Hong Kong, Peoples R China.

[Ouyang, Defang] Univ Macau, ICMS, State Key Lab Qual Res Chinese Med, Macau, Peoples R China.

通讯机构：

[Cao, Dong-Sheng] C

[Cao, Dong-Sheng] H

Cent South Univ, Xiangya Sch Pharmaceut Sci, 172 Tongzipo Rd, Changsha, Hunan, Peoples R China.

Hong Kong Baptist Univ, Sch Chinese Med, Inst Advancing Translat Med Bone & Joint Dis, Hong Kong, Hong Kong, Peoples R China.

语种：

英文

关键词：

ADMETlab;ADMET;Drug-likeness;ADMET database;Drug discovery;Cheminformatics

期刊：

Journal of Cheminformatics

ISSN：

1758-2946

年：

2018

卷：

期：

页码：

1-11

DOI：

10.1186/s13321-018-0283-x

基金类别：

National Key Basic Research ProgramNational Basic Research Program of China [2015CB910700]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [81402853, 81501619]; Program for Science & Technology Innovation Talents of Hunan Province [2017TP1021]; Project of Innovation-driven Plan in Central South University

机构署名：

本校为其他机构

院系归属：

食品科学与工程学院

摘要：

Current pharmaceutical research and development (R&D) is a high-risk investment which is usually faced with some unexpected even disastrous failures in different stages of drug discovery. One main reason for R&D failures is the efficacy and safety deficiencies which are related largely to absorption, distribution, metabolism and excretion (ADME) properties and various toxicities (T). Therefore, rapid ADMET evaluation is urgently needed to minimize failures in the drug discovery process. Here, we developed a web-based platform called ADMETlab fo...

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ADMETLAB: A PLATFORM FOR SYSTEMATIC ADMET EVALUATION BASED ON A COMPREHENSIVELY COLLECTED ADMET DATABASE

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