REPOSITORY ABOUT 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 human serum albumin binding. Q13-59-0008. 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 human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.

QDB archive DOI: 10.15152/QDB.227   DOWNLOAD

QsarDB content

Property logK: HPLC chromatographic retention index on immobilized albumin [mM]

QSAR: Model for in vitro protein binding assay

Regression model (regression)   QMRF

Open in:QDB Explorer QDB Predictor

Name Type n

R2

σ

Training set training 68 0.835 0.246
Test set external validation 17 0.748 0.306

Citing

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

  • Piir, G. Data for: QSAR for human serum albumin binding. QsarDB repository, QDB.227. 2020. http://dx.doi.org/10.15152/QDB.227

  • Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.

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dc.date.accessioned 2020-04-20T12:07:05Z
dc.date.available 2020-04-20T12:07:05Z
dc.date.issued 2020-04-20
dc.identifier.uri http://hdl.handle.net/10967/227
dc.identifier.uri http://dx.doi.org/10.15152/QDB.227
dc.description.abstract This QSAR model corresponds to the QMRF Q13-59-0008 "QSAR for human serum albumin binding" from the JRC QSAR Model Database
dc.publisher Geven Piir
dc.rights Attribution 4.0 International *
dc.rights.uri http://creativecommons.org/licenses/by/4.0/ *
dc.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 human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.
qdb.property.endpoint 5. Toxicokinetics 5.9. Protein-binding en_US
qdb.property.species Homo sapiens (Human) en_US
qdb.descriptor.application QSARModel 3.7.0 en_US
qdb.prediction.application QSARModel 3.7.0 en_US
bibtex.entry techreport en_US
bibtex.entry.author Tulp, I.
bibtex.entry.author Tamm, T.
bibtex.entry.author Karelson, G.
bibtex.entry.author Dobchev, D.
bibtex.entry.author Martin, D.
bibtex.entry.author Tämm, K.
bibtex.entry.author Savchenko, D.
bibtex.entry.author Jänes, J.
bibtex.entry.author Härk, E.
bibtex.entry.author Kreegipuu, A.
bibtex.entry.author Karelson, M.
bibtex.entry.institution Molcode Ltd. en_US
bibtex.entry.number Q13-59-0008 en_US
bibtex.entry.title QSAR for human serum albumin binding en_US
bibtex.entry.year 2009
qdb.model.type Regression model (regression) en_US
qdb.model.qmrf QSAR=Q13-59-0008 en_US


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