skip to main content
Language:
Search Limited to: Search Limited to: Resource type Show Results with: Show Results with: Search type Index

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

Nucleic acids research, 2021-07, Vol.49 (W1), p.W5-W14 [Peer Reviewed Journal]

The Author(s) 2021. Published by Oxford University Press on behalf of Nucleic Acids Research. 2021 ;The Author(s) 2021. Published by Oxford University Press on behalf of Nucleic Acids Research. ;ISSN: 0305-1048 ;EISSN: 1362-4962 ;DOI: 10.1093/nar/gkab255 ;PMID: 33893803

Full text available

Citations Cited by
  • Title:
    ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
  • Author: Xiong, Guoli ; Wu, Zhenxing ; Yi, Jiacai ; Fu, Li ; Yang, Zhijiang ; Hsieh, Changyu ; Yin, Mingzhu ; Zeng, Xiangxiang ; Wu, Chengkun ; Lu, Aiping ; Chen, Xiang ; Hou, Tingjun ; Cao, Dongsheng
  • Subjects: Web Server issue
  • Is Part Of: Nucleic acids research, 2021-07, Vol.49 (W1), p.W5-W14
  • Description: Abstract Because undesirable pharmacokinetics and toxicity of candidate compounds are the main reasons for the failure of drug development, it has been widely recognized that absorption, distribution, metabolism, excretion and toxicity (ADMET) should be evaluated as early as possible. In silico ADMET evaluation models have been developed as an additional tool to assist medicinal chemists in the design and optimization of leads. Here, we announced the release of ADMETlab 2.0, a completely redesigned version of the widely used AMDETlab web server for the predictions of pharmacokinetics and toxicity properties of chemicals, of which the supported ADMET-related endpoints are approximately twice the number of the endpoints in the previous version, including 17 physicochemical properties, 13 medicinal chemistry properties, 23 ADME properties, 27 toxicity endpoints and 8 toxicophore rules (751 substructures). A multi-task graph attention framework was employed to develop the robust and accurate models in ADMETlab 2.0. The batch computation module was provided in response to numerous requests from users, and the representation of the results was further optimized. The ADMETlab 2.0 server is freely available, without registration, at https://admetmesh.scbdd.com/. Graphical Abstract Graphical Abstract ADMETlab 2.0 assists medicinal chemists in the design and optimization of lead compounds.
  • Publisher: England: Oxford University Press
  • Language: English
  • Identifier: ISSN: 0305-1048
    EISSN: 1362-4962
    DOI: 10.1093/nar/gkab255
    PMID: 33893803
  • Source: Oxford Journals Open Access Collection
    Geneva Foundation Free Medical Journals at publisher websites
    PubMed Central
    Directory of Open Access Journals
Back to results list
INSPIRE LIBRARY - TON DUC THANG UNIVERSITY (84-028) 37 755 057 Feedback
19 Nguyen Huu Tho St. Dist.7, HCM thuvien@tdtu.edu.vn

Copyright © 2017 INSPIRE LIBRARY - TON DUC THANG UNIVERSITY

Searching Remote Databases, Please Wait