QSPR Models for Prediction of Redox Potentials Using Optimal Descriptors
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F23%3A10465638" target="_blank" >RIV/00216208:11310/23:10465638 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1007/978-3-031-28401-4_6" target="_blank" >https://doi.org/10.1007/978-3-031-28401-4_6</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/978-3-031-28401-4_6" target="_blank" >10.1007/978-3-031-28401-4_6</a>
Alternative languages
Result language
angličtina
Original language name
QSPR Models for Prediction of Redox Potentials Using Optimal Descriptors
Original language description
The redox potential is an important physicochemical property widely used for the characterization of chemical species, and, as a characteristic constant of a given chemical species, it is also useful for predicting various other properties of the species. In the chapter, we review and discuss the pros and cons of QSPR models for the prediction of redox potentials using optimal descriptors calculated with the SMILES as well as using the so-called hybrid descriptors calculated with considering SMILES and molecular graphs of atomic orbitals.
Czech name
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Czech description
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Classification
Type
C - Chapter in a specialist book
CEP classification
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OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Book/collection name
QSPR/QSAR Analysis Using SMILES and Quasi-SMILES
ISBN
978-3-031-28400-7
Number of pages of the result
28
Pages from-to
139-166
Number of pages of the book
467
Publisher name
Springer Nature Switzerland AG
Place of publication
Cham
UT code for WoS chapter
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