SMILES-based quantitative structure-property relationships for half-wave potential of N-benzylsalicylthioamides

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F13%3A10144153" target="_blank" >RIV/00216208:11310/13:10144153 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11160/13:10144153
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0223523413003401" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0223523413003401</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.ejmech.2013.05.031" target="_blank" >10.1016/j.ejmech.2013.05.031</a>

Result language
angličtina
Original language name
SMILES-based quantitative structure-property relationships for half-wave potential of N-benzylsalicylthioamides
Original language description
Optimal descriptors calculated with Simplified Molecular Input Line Entry System (SMILES) notation have been used in quantitative structure-property relationships (QSPR) of half-wave potential of N-benzylsalicylthioamides. The QSPR developed is one-variable model based on the optimal descriptors calculated with the Monte Carlo method. The approach has been checked up with three random splits into the training and test sets. Mechanistic interpretations (structural alerts related to the half-wave potential) of the model are discussed.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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