The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11110%2F19%3A10396267" target="_blank" >RIV/00216208:11110/19:10396267 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=oSvVbX9cuH" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=oSvVbX9cuH</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.scitotenv.2018.12.439" target="_blank" >10.1016/j.scitotenv.2018.12.439</a>
Alternative languages
Result language
angličtina
Original language name
The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models
Original language description
Acetylcholinesterase (AChE) inhibitors, dihydrofolate reductase inhibitors (DHFR), Toxicity in Tetrahymena pyriformis (TP), Acute Toxicity in fathead minnow (TFat), Water solubility (WS), and Acute Aquatic Toxicity in Daphnia magna (DM) are examined as endpoints to establish quantitative structure - property/activity relationships (QSPRs/QSARs). The Index of Ideality of Correlation (IIC) is a measure of predictive potential. The IIC has been studied in a few recent works. The comparison of models for the six endpoints above confirms that the index can be a useful tool for building up and validation of QSPR/QSAR models. All examined endpoints are important froman ecologic point of view. The diversity of examined endpoints confirms that the IIC is real criterion of the predictive potential of a model.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
30202 - Endocrinology and metabolism (including diabetes, hormones)
Result continuities
Project
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Continuities
V - Vyzkumna aktivita podporovana z jinych verejnych zdroju
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Science of the Total Environment
ISSN
0048-9697
e-ISSN
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Volume of the periodical
659
Issue of the periodical within the volume
April
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
8
Pages from-to
1387-1394
UT code for WoS article
000457293700132
EID of the result in the Scopus database
2-s2.0-85059553902