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QSPR
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QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES
2008 |
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
QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES
2006 |
Faculty of Science
publication
QSPR/QSAR Analyses by Means of the CORAL Software: Results, Challenges, Perspectives
2015 |
Faculty of Science
publication
QSPR Models for Prediction of Redox Potentials Using Optimal Descriptors
2023 |
Faculty of Science
publication
Fundamentals of Mathematical Modeling of Chemicals Through QSPR/QSAR
2023 |
First Faculty of Medicine
publication
The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models
2019 |
First Faculty of Medicine
publication
Medicinal Chemistry Meets Electrochemistry: Redox Potential in the Role of Endpoint or Molecular Descriptor in QSAR/QSPR
2020 |
Faculty of Science
publication
Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins
2006 |
First Faculty of Medicine
publication
Comparison of QSPR models of octanol/water partition coefficient for vitamins and non vitamins
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 |
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
SMILES-based QSPR model for half-wave potentials of 1-phenyl-5-benzyl-sulfanyltetrazoles using CORAL
2012 |
Faculty of Science
publication
QSPR modeling of octanol/water partition coefficient of vitamins
2006 |
First Faculty of Medicine
publication
SMILES-based quantitative structure-retention relationships for RP HPLC of 1-phenyl-5-benzylsulfanyltetrazoles
2014 |
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
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
Prediction of retention characteristics of heterocyclic compounds
2015 |
Faculty of Science, Faculty of Pharmacy in Hradec Králové
publication
Development of the latest tools for building up "nano-QSAR": Quantitative features-property/activity relationships (QFPRs/QFARs)
2016 |
Faculty of Science
publication
The prediction of the retention time of pesticide based on the Monte Carlo method with the use of the vector of the ideality of correlation and correlation weights of local symmetry fragments
2023 |
First Faculty of Medicine
publication
Electrochemical Oxidation of Sulphureous and Nitrogenous Pharmacologically Active Substances in Non-Aqueous Medium
Publication without faculty affiliation
publication
Model for electrochemical parameters for 4-(benzylsulfanyl)pyridines calculated from the molecular structure
2016 |
Faculty of Science
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
Comprehension of drug toxicity: Software and databases
2014 |
First Faculty of Medicine
publication
CORAL Software: Analysis of Impacts of Pharmaceutical Agents Upon Metabolism via the Optimal Descriptors
2017 |
First Faculty of Medicine