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A drug-likeness toolbox facilitates ADMET study in drug discovery

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成果类型:
期刊论文
作者:
Jia, Chen-Yang*;Li, Jing-Yi;Hao, Ge-Fei;Yang, Guang-Fu(杨光富
通讯作者:
Jia, Chen-Yang
作者机构:
[Yang, Guang-Fu; Li, Jing-Yi; Jia, Chen-Yang; Hao, Ge-Fei] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
[Yang, Guang-Fu; Hao, Ge-Fei] Cent China Normal Univ, Int Joint Res Ctr Intelligent Biosensor Technol &, Wuhan 430079, Peoples R China.
[Hao, Ge-Fei] Guizhou Univ, State Key Lab Breeding Base Green Pesticide & Agr, Key Lab Green Pesticide & Agr Bioengn, Minist Educ,Res & Dev Ctr Fine Chem, Guiyang 550025, Peoples R China.
[Yang, Guang-Fu] Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300072, Peoples R China.
通讯机构:
[Jia, Chen-Yang] C
Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
语种:
英文
期刊:
Drug Discovery Today
ISSN:
1359-6446
年:
2020
卷:
25
期:
1
页码:
248-258
基金类别:
This research was supported, in part, by the National Key R&D Program ( 2017YFD0200501 ), the National Natural Science Foundation of China (No. 21772059 , 91853127 , and 31960548 ).
机构署名:
本校为第一且通讯机构
院系归属:
化学学院
摘要:
Undesirable pharmacokinetic (PK) properties or unacceptable toxicity are the main causes of the failure of drug candidates at the clinical trial stage. Since the concept of drug-likeness was first proposed, it has become an important consideration in the selection of compounds with desirable bioavailability during the early phases of drug discovery. Over the past decade, online resources have effectively facilitated drug-likeness studies in an economical and time-efficient manner. Here, we provide a comprehensive summary and comparison of current accessible online resources, in terms of their ...

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