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 ExplorerQDB 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:
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Piir, G. Data for: QSAR for human serum albumin binding. QsarDB repository, QDB.227. 2020. http://dx.doi.org/10.15152/QDB.227
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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.
Metadata
| 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 |
Files in this item
| Name | Description | Format | Size | View |
|---|---|---|---|---|
| Q13-59-0008.qdb.zip | Model for protein binding | application/zip | 95.75Kb | View/ |
| Q13-59-0008.pdf | QMRF | 38.61Kb | View/ |
Files associated with this item are distributed
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under Creative Commons license.
This item appears in the following Collection(s)
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JRC QSAR Model Database models and data
European Union Reference Laboratory for Alternatives to Animal Testing, JRC (Italy)