SMILES-based quantitative structure-retention relationships for RP HPLC of 1-phenyl-5-benzylsulfanyltetrazoles
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F14%3A10172670" target="_blank" >RIV/00216208:11310/14:10172670 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s11224-013-0293-2" target="_blank" >http://dx.doi.org/10.1007/s11224-013-0293-2</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s11224-013-0293-2" target="_blank" >10.1007/s11224-013-0293-2</a>
Alternative languages
Result language
angličtina
Original language name
SMILES-based quantitative structure-retention relationships for RP HPLC of 1-phenyl-5-benzylsulfanyltetrazoles
Original language description
The CORAL software (http://www.insilico.eu/coral) was used to build up the Simpli?ed Molecular Input Line Entry System-based quantitative structure-property relationship (QSPR) for the retention characteristics of 1-phenyl-5-benzylsulfanyltetrazoles. TheQSPRs developed are one-variable models based on the optimal descriptors calculated with the Monte Carlo method. The approach has been checked with three random splits into the training and test sets. Mechanistic interpretations (structural alerts related to the endpoint) of the model are discussed.
Czech name
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Czech description
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Classification
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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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Structural Chemistry
ISSN
1040-0400
e-ISSN
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Volume of the periodical
25
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
311-317
UT code for WoS article
000330986400031
EID of the result in the Scopus database
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