QSAR of antimycobacterial activity of benzoxazoles by optimal SMILES-based descriptors
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F17%3A10367482" target="_blank" >RIV/00216208:11310/17:10367482 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s00044-017-2013-8" target="_blank" >http://dx.doi.org/10.1007/s00044-017-2013-8</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00044-017-2013-8" target="_blank" >10.1007/s00044-017-2013-8</a>
Alternative languages
Result language
angličtina
Original language name
QSAR of antimycobacterial activity of benzoxazoles by optimal SMILES-based descriptors
Original language description
The CORAL software based on the optimal descriptors calculated with simplified molecular input-line entry system was used to build up quantitatively structure-activity relationship for the minimal inhibition concentrations against (i) Mycobacterium tuberculosis H37RV ATCC 27294 and (ii) M. tuberculosis drug resistant clinical isolate. The predictive potential of these models has been checked up with three random splits into the training, calibration, and validation sets. Although all models are quantitative, it has been found that splitting have apparent influence on the statistical quality of these models. Thus, the thesis "QSAR is a random event" is confirmed in this work.
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
10406 - Analytical chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Medicinal Chemistry Research
ISSN
1054-2523
e-ISSN
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Volume of the periodical
26
Issue of the periodical within the volume
12
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
3203-3208
UT code for WoS article
000414767200010
EID of the result in the Scopus database
2-s2.0-85027835894