Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method. Q13-42-0029. Molcode Ltd., 2009.

QsarDB Repository

Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method. Q13-42-0029. Molcode Ltd., 2009.

QDB archive DOI: 10.15152/QDB.226   DOWNLOAD

QsarDB content

Property pLD50: Mouse oral toxicity as log(1/LD50) [M]

QSAR: Model for acute toxicity

Regression model (regression)   QMRF

Open in:QDB ExplorerQDB Predictor

NameTypen

R2

σ
Training settraining520.7490.303
Test setexternal validation50.5960.344

Citing

When using this QDB archive, please cite (see details) it together with the original article:

  • Piir, G. Data for: QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method. QsarDB repository, QDB.226. 2020. https://doi.org/10.15152/QDB.226

  • Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method. Q13-42-0029. Molcode Ltd., 2009.

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dc.date.accessioned2020-04-17T10:17:01Z
dc.date.available2020-04-17T10:17:01Z
dc.date.issued2020-04-17
dc.identifier.urihttp://hdl.handle.net/10967/226
dc.identifier.urihttp://dx.doi.org/10.15152/QDB.226
dc.description.abstractThis QSAR model corresponds to the QMRF Q13-42-0029 "QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method" from the JRC QSAR Model Database
dc.publisherGeven Piir
dc.rightsAttribution 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.titleTulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Method. Q13-42-0029. Molcode Ltd., 2009.
qdb.property.endpoint4. Human health effects 4.2. Acute Oral toxicityen_US
qdb.property.speciesRattus norvegicus (Rat)en_US
qdb.descriptor.applicationQSARModel 4.0.3en_US
qdb.prediction.applicationQSARModel 4.0.3en_US
bibtex.entrytechreporten_US
bibtex.entry.authorTulp, I.
bibtex.entry.authorTamm, T.
bibtex.entry.authorKarelson, G.
bibtex.entry.authorDobchev, D.
bibtex.entry.authorMartin, D.
bibtex.entry.authorTämm, K.
bibtex.entry.authorSavchenko, D.
bibtex.entry.authorJänes, J.
bibtex.entry.authorHärk, E.
bibtex.entry.authorKreegipuu, A.
bibtex.entry.authorKarelson, M.
bibtex.entry.institutionMolcode Ltd.en_US
bibtex.entry.numberQ13-42-0029en_US
bibtex.entry.titleQSAR for acute oral toxicity of benzene derivatives - Acute Toxic Class Methoden_US
bibtex.entry.year2009
qdb.model.typeRegression model (regression)en_US
qdb.model.qmrfQSAR=Q13-42-0029en_US


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