Prediction of biological activity of compounds containing a 1,3,5-triazinyl sulfonamide scaffold by artificial neural networks using simple molecular descriptors
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00159816%3A_____%2F21%3A00075151" target="_blank" >RIV/00159816:_____/21:00075151 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14160/21:00120916
Result on the web
<a href="https://www.sciencedirect.com/science/article/abs/pii/S0045206820318630?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/abs/pii/S0045206820318630?via%3Dihub</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.bioorg.2020.104565" target="_blank" >10.1016/j.bioorg.2020.104565</a>
Alternative languages
Result language
angličtina
Original language name
Prediction of biological activity of compounds containing a 1,3,5-triazinyl sulfonamide scaffold by artificial neural networks using simple molecular descriptors
Original language description
Simple molecular descriptors of extensive series of 1,3,5 triazinyl sulfonamide derivatives, based on the structure of sulfonamides and their physicochemical properties, were designed and calculated. These descriptors were successfully applied as inputs for artificial neural network (ANN) modelling of the relationship between the structure and biological activity. The optimized ANN architecture was applied to the prediction of the inhibition activity of 1,3,5-triazinyl sulfonamides against human carbonic anhydrase (hCA) II, tumour-associated hCA IX, and their selectivity (hCA II/hCA IX).
Czech name
—
Czech description
—
Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10608 - Biochemistry and molecular biology
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
BIOORGANIC CHEMISTRY
ISSN
0045-2068
e-ISSN
—
Volume of the periodical
107
Issue of the periodical within the volume
February
Country of publishing house
US - UNITED STATES
Number of pages
15
Pages from-to
—
UT code for WoS article
000618103400003
EID of the result in the Scopus database
—