The Index of Ideality of Correlation (IIC): model for sweetness
Identifikátory výsledku
Kód výsledku v 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>
Výsledek na webu
<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>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
The Index of Ideality of Correlation (IIC): model for sweetness
Popis výsledku v původním jazyce
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] .
Název v anglickém jazyce
The Index of Ideality of Correlation (IIC): model for sweetness
Popis výsledku anglicky
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] .
Klasifikace
Druh
J<sub>imp</sub> - Článek v periodiku v databázi Web of Science
CEP obor
—
OECD FORD obor
30202 - Endocrinology and metabolism (including diabetes, hormones)
Návaznosti výsledku
Projekt
—
Návaznosti
V - Vyzkumna aktivita podporovana z jinych verejnych zdroju
Ostatní
Rok uplatnění
2019
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Monatshefte für Chemie - Chemical Monthly
ISSN
0026-9247
e-ISSN
—
Svazek periodika
150
Číslo periodika v rámci svazku
4
Stát vydavatele periodika
AT - Rakouská republika
Počet stran výsledku
7
Strana od-do
617-623
Kód UT WoS článku
000462504500004
EID výsledku v databázi Scopus
2-s2.0-85062721977