OECD QSAR Toolbox statistics

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OECD QSAR Toolbox specifications

Information


Unique identifier OMICS_05032
Name OECD QSAR Toolbox
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes

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Unique identifier OMICS_05032
Name OECD QSAR Toolbox
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

OECD QSAR Toolbox in publications

 (9)
PMCID: 5699174
PMID: 28288858
DOI: 10.1016/j.tox.2017.03.012

[…] dermal bioavailability are given in . a review of in vitro and qsar methods for predicting dermal absorption is given in . in order to explore models for predicting liver and skin metabolism the oecd qsar toolbox was applied. for caffeine, five metabolites were predicted by a qsar approach for liver metabolism and one for skin metabolism. however, in case of skin metabolism, neither in vitro […]

PMCID: 5030828
PMID: 27708580
DOI: 10.3389/fphar.2016.00321

[…] approaches for regulatory purposes is supported and facilitated by the oecd (q)sar project. herein, the principles for the validation of (q)sar models (oecd, ) have been developed as well as the oecd qsar toolbox, which is supporting grouping and read-across approaches. regulatory agencies increasingly accept in silico results on genotoxicity (cassano et al., ; aiba nee kaneko et al., ; […]

PMCID: 5044967
PMID: 27752449
DOI: 10.1186/s12302-016-0084-7

[…] by non-parametric tests using statistica (statsoft, ok, usa)., model-derived moa classification of the dataset into the classes according to verhaar [] was obtained using an implementation in the oecd qsar toolbox 3.2 (http://www.oecd.org/chemicalsafety/risk-assessment/theoecdqsartoolbox.htm)., mm gathered the database and carried out the study. all authors participated in the design […]

PMCID: 4635184
PMID: 26550029
DOI: 10.1186/s13065-015-0139-7

[…] sly obtained by other authors with the exception of sas having id 2 and 4., rdt data for modeling are present in the hazard evaluation support system (hess) database [], which was downloaded from the oecd qsar toolbox []. this database provides noael and loael values and gives information on the organ toxicity for 503 chemicals tested on rats by oral exposure over periods ranging from 28 to 120 da […]

PMCID: 4464169
PMID: 26124721
DOI: 10.3389/fphar.2015.00123

[…] (herg). the toxic potential of a compound is derived from its computed binding affinities to these proteins. thus, this particular technology takes into account metabolism by some key cyps., the oecd qsar toolbox is a public program for identification of relevant structural characteristics and potential mechanism or mode of toxic action of a chemical. a crucial feature of the toolbox […]


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