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Acta Chimica Slovaca
Volume 18 (2025): Issue 1 (January 2025)
Open Access
Comparison of parametric methods with quantum mechanics based models to estimate Clog
P
values
Dávid Zajaček
Dávid Zajaček
Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava
Bratislava, Slovakia
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Zajaček, Dávid
,
Andrej Hlinčík
Andrej Hlinčík
Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava
Bratislava, Slovakia
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Hlinčík, Andrej
,
Lukas Bucinsky
Lukas Bucinsky
Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava
Bratislava, Slovakia
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Bucinsky, Lukas
and
Matej Uhliar
Matej Uhliar
Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava
Bratislava, Slovakia
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Uhliar, Matej
May 20, 2025
Acta Chimica Slovaca
Volume 18 (2025): Issue 1 (January 2025)
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Published Online:
May 20, 2025
Page range:
8 - 23
DOI:
https://doi.org/10.2478/acs-2025-0002
Keywords
log
,
parametric methods
,
XLOGP3
,
density functional theory
,
implicit solvent model
,
SMD
© 2025 Dávid Zajaček et al., published by Sciendo
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
