The Index of Ideality of Correlation (IIC): model for sweetness
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11110%2F19%3A10397053" target="_blank" >RIV/00216208:11110/19:10397053 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=T3RmS1._9_" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=T3RmS1._9_</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00706-019-2368-2" target="_blank" >10.1007/s00706-019-2368-2</a>
Alternative languages
Result language
angličtina
Original language name
The Index of Ideality of Correlation (IIC): model for sweetness
Original language description
The prediction of physicochemical and biochemical endpoints related to food, cosmetics, drug discovery, and medicine using computational approaches is relevant to the need of the modern society. The experimental determination of the endpoints is impossible for all necessary substances. The Index of Ideality of Correlation (IIC) is a criterion of predictive potential of a model. The index has been implemented in the CORAL software, which is a tool to build up quantitative structureactivity relationships. In the present work, two models for sweetness potential are built using this software. The first model is built without taking into account the IIC. The second model is built with taking into account the IIC. The results show that the IIC improves the predictive potential. This was confirmed in three computational experiments with random splits of the data related to sweetness into training and validation sets. [GRAPHICS] .
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
Monatshefte für Chemie - Chemical Monthly
ISSN
0026-9247
e-ISSN
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Volume of the periodical
150
Issue of the periodical within the volume
4
Country of publishing house
AT - AUSTRIA
Number of pages
7
Pages from-to
617-623
UT code for WoS article
000462504500004
EID of the result in the Scopus database
2-s2.0-85062721977