REPOSITORY QDB GUIDELINES CITING BLOG

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 Explorer QDB Predictor

Name Type n

R2

σ

Training set training 52 0.749 0.303
Test set external validation 5 0.596 0.344

Citing

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

  • Piir, G. QDB archive #226. QsarDB repository, 2020. http://dx.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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Title: 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.
Abstract: This 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
URI: http://hdl.handle.net/10967/226
http://dx.doi.org/10.15152/QDB.226
Date: 2020-04-17


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