admetSAR statistics

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Protocols

admetSAR specifications

Information


Unique identifier OMICS_16057
Name admetSAR
Restrictions to use None
Database management system MySQL
Community driven No
Data access File download, Browse
User data submission Not allowed
Version 2.0
Maintained Yes

Maintainer


  • person_outline Yun Tang

Publications for admetSAR

admetSAR citations

 (37)
library_books

Molecular dynamics simulation (MDS) analysis of Vibrio cholerae ToxT virulence factor complexed with docked potential inhibitors

2018
Bioinformation
PMCID: 5953856
DOI: 10.6026/97320630014101

[…] We checked the drug-likeness value of the top two virtual screening hits by FAF drugs [] and admetSAR []. The results from FAFA-Drug and MolSoft indicated that Lig N1 was fitted into Lipinski acceptable area. Moreover, the oral absorption estimation indicated that Lig N1 has acceptable hydrog […]

library_books

QSAR Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities

2018
Front Pharmacol
PMCID: 5845645
PMID: 29559909
DOI: 10.3389/fphar.2018.00146

[…] than zero. Furthermore, some ADMET properties were predicted for the best virtual hits, such as physicochemical properties (logP and logS)), acute oral toxicity by GUSAR (; , ), carcinogenicity using admetSAR (), and hERG K+ channel blockage using Pred-hERG) (; , ). […]

library_books

In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

2018
PMCID: 5826228
PMID: 29515993
DOI: 10.3389/fchem.2018.00030

[…] ormance of ToxTree, OECD Toolbox, and other commercial tools were compared in literature (Devillers and Mombelli, ; Mombelli and Devillers, ; Bhatia et al., ; Bhhatarai et al., ). Our group developed admetSAR that can also predict toxicity of compounds in SMILES format (Cheng et al., ).Web servers such as ChemSAR (Dong et al., ) and ChemBench (Capuzzi et al., ) enable users to build custom models […]

call_split

Phytochemical analysis and docking study of compounds present in a polyherbal preparation used in the treatment of dermatophytosis

2017
PMCID: 5917095
PMID: 29707673
DOI: 10.29252/cmm.3.4.6
call_split See protocol

[…] glikeness or determine if a chemical compound with a certain pharmacological or biological activity has properties that may be active peroral. Toxicity The toxicity of the compounds was detected with admetSAR, a free online web server. This server provides the possible toxicity profile of the compounds with the values suggesting the safety. […]

library_books

ToxiM: A Toxicity Prediction Tool for Small Molecules Developed Using Machine Learning and Chemoinformatics Approaches

2017
Front Pharmacol
PMCID: 5714866
PMID: 29249969
DOI: 10.3389/fphar.2017.00880

[…] tant and challenging task. At present, feature-based methods such as ToxiPred (Mishra et al., ), DeepTox (Mayr et al., ) are available for the prediction of toxicity (Cheng et al., ). Another tool is admetSAR, a freely available tool which uses various classification and regression models for the prediction of ADMET properties. Also, a large number of machine learning tools are available for the t […]

library_books

In silico based identification of human α enolase inhibitors to block cancer cell growth metabolically

2017
Drug Des Devel Ther
PMCID: 5695255
PMID: 29180852
DOI: 10.2147/DDDT.S149214

[…] downstream preclinical tests or lead to early termination of clinical trial, the top 24 hits with idock score less than −7 kcal/mol were further evaluated for their ADMET properties, predicted by the admetSAR web server. (). In the absorption property analysis, all 24 hits are predicted to have good absorption by the intestine (HIA+, if HIA ≥30%), but only 10 of them are Caco-2+ (Papp ≥8×10−6 cm/s […]

Citations

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admetSAR institution(s)
Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, Shanghai, China
admetSAR funding source(s)
Supported by the National Key Research and Development Program of China (Grant 2016YFA0502304) and the National Natural Science Foundation of China (Grants 81373329 and 81673356).

admetSAR reviews

 (3)
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Anonymous user #33838

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Dataset
Why i cant access the server ?
Anonymous user #27266's avatar image

Anonymous user #27266

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Dataset
The server is running.
Here is the link to the server:
http://lmmd.ecust.edu.cn/admetsar1/home/