Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for algae toxicity of benzene derivatives. Q13-32-0028. 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 algae toxicity of benzene derivatives. Q13-32-0028. Molcode Ltd., 2009.

QDB archive DOI: 10.15152/QDB.222   DOWNLOAD

QsarDB content

Property pEC50: Algal toxicity as log(1/EC50) [mM]

QSAR: Model for algal toxicity

Regression model (regression)   QMRF

Open in:QDB ExplorerQDB Predictor

NameTypen

R2

σ

Training settraining730.9210.415
Test setexternal validation180.8870.501

Citing

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

  • Piir, G. Data for: QSAR for algae toxicity of benzene derivatives. QsarDB repository, QDB.222. 2020. http://dx.doi.org/10.15152/QDB.222

  • Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for algae toxicity of benzene derivatives. Q13-32-0028. 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 algae toxicity of benzene derivatives. Q13-32-0028. Molcode Ltd., 2009.
Abstract:This QSAR model corresponds to the QMRF Q13-32-0028 "QSAR for algae toxicity of benzene derivatives" from the JRC QSAR Model Database
URI:http://hdl.handle.net/10967/222
http://dx.doi.org/10.15152/QDB.222
Date:2020-04-17


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