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 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. QDB archive #227. QsarDB repository, 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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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.
Abstract: This QSAR model corresponds to the QMRF Q13-59-0008 "QSAR for human serum albumin binding" from the JRC QSAR Model Database
URI: http://hdl.handle.net/10967/227
http://dx.doi.org/10.15152/QDB.227
Date: 2020-04-20


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