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optimal descriptors
Publication
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Person
Publication
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publication
QSAR based on hybrid optimal descriptors as a tool to predict antibacterial activity against Staphylococcus aureus
2022 |
Faculty of Science
publication
QSPR Models for Prediction of Redox Potentials Using Optimal Descriptors
2023 |
Faculty of Science
publication
QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES
2006 |
First Faculty of Medicine
publication
QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES
2006 |
Faculty of Physical Education and Sport
publication
QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES
2006 |
Faculty of Pharmacy in Hradec Králové
publication
QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES
2006 |
Faculty of Science
publication
CORAL Software: Analysis of Impacts of Pharmaceutical Agents Upon Metabolism via the Optimal Descriptors
2017 |
First Faculty of Medicine
publication
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES
2008 |
First Faculty of Medicine
publication
SMILES-based QSPR model for half-wave potentials of 1-phenyl-5-benzyl-sulfanyltetrazoles using CORAL
2012 |
Faculty of Science
publication
The Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of Endpoints for Nanomaterials - Two Examples of Application
2015 |
Faculty of Science, First Faculty of Medicine
publication
QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations
2010 |
First Faculty of Medicine
publication
QSAR modeling of endpoints for peptides which is based on representation of the molecular structure by a sequence of amino acids
2012 |
First Faculty of Medicine
publication
Development of the latest tools for building up "nano-QSAR": Quantitative features-property/activity relationships (QFPRs/QFARs)
2016 |
Faculty of Science
publication
SMILES-based quantitative structure-property relationships for half-wave potential of N-benzylsalicylthioamides
2013 |
Faculty of Science, Faculty of Pharmacy in Hradec Králové
publication
Prediction of retention characteristics of heterocyclic compounds
2015 |
Faculty of Science, Faculty of Pharmacy in Hradec Králové
publication
SMILES-based quantitative structure-retention relationships for RP HPLC of 1-phenyl-5-benzylsulfanyltetrazoles
2014 |
Faculty of Science
publication
QSAR of antimycobacterial activity of benzoxazoles by optimal SMILES-based descriptors
2017 |
Faculty of Science
publication
QSPR/QSAR Analyses by Means of the CORAL Software: Results, Challenges, Perspectives
2015 |
Faculty of Science
publication
Model for electrochemical parameters for 4-(benzylsulfanyl)pyridines calculated from the molecular structure
2016 |
Faculty of Science