Predicting pK a values from EEM atomic charges
Vařeková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Bouchal, Tomáš, Sehnal, David, Abagyan, Ruben, Koča, Jaroslav
Published in Journal of cheminformatics (10.04.2013)
Published in Journal of cheminformatics (10.04.2013)
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Journal Article
Predicting pKa values from EEM atomic charges
Vařeková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Bouchal, Tomáš, Sehnal, David, Abagyan, Ruben, Koča, Jaroslav
Published in Journal of cheminformatics (10.04.2013)
Published in Journal of cheminformatics (10.04.2013)
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Journal Article
QSPR designer – employ your own descriptors in the automated QSAR modeling process
Skřehota, Ondřej, Vařeková, Radka Svobodová, Geidl, Stanislav, Kudera, Michal, Sehnal, David, Ionescu, Crina-Maria, Žídek, Jan, Koča, Jaroslav
Published in Journal of cheminformatics (01.05.2012)
Published in Journal of cheminformatics (01.05.2012)
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Journal Article
How the methodology of 3D structure preparation influences the quality of QSPR models?
Geidl, Stanislav, Beránek, Roman, Vařeková, Radka Svobodová, Bouchal, Tomáš, Brumovský, Miroslav, Kudera, Michal, Skřehota, Ondřej, Koča, Jaroslav
Published in Journal of cheminformatics (01.05.2012)
Published in Journal of cheminformatics (01.05.2012)
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Journal Article
Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
SVOBODOVA VAREKOVA, Radka, GEIDL, Stanislav, IONESCU, Crina-Maria, SKREHOTA, Ondřej, KUDERA, Michal, SEHNAL, David, BOUCHAL, Tomas, ABAGYAN, Ruben, HUBER, Heinrich J, KOCA, Jaroslav
Published in Journal of chemical information and modeling (22.08.2011)
Published in Journal of chemical information and modeling (22.08.2011)
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Journal Article
Predicting pK^sub a^ Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
Vareková, Radka Svobodová, Geidl, Stanistav, Ionescu, Crina-Maria, Skrehota, Ondrej, Kudera, Michal, Sehnal, David, Bouchal, Tomas, Abagyan, Ruben, Huber, Heinrich J, Koca, Jaroslav
Published in Journal of chemical information and modeling (22.08.2011)
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Published in Journal of chemical information and modeling (22.08.2011)
Journal Article
Predicting pK a Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
Svobodová Vařeková, Radka, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Kudera, Michal, Sehnal, David, Bouchal, Tomáš, Abagyan, Ruben, Huber, Heinrich J, Koča, Jaroslav
Published in Journal of chemical information and modeling (22.08.2011)
Published in Journal of chemical information and modeling (22.08.2011)
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Journal Article
Predicting p K sub( a )values from EEM atomic charges
Varekova, Radka Svobodova, Geidl, Stanislav, Ionescu, Crina-Maria, Skrehota, Ondrej, Bouchal, Tomas, Sehnal, David, Abagyan, Ruben, Koca, Jaroslav
Published in Journal of cheminformatics (01.01.2013)
Published in Journal of cheminformatics (01.01.2013)
Get full text
Journal Article
Predicting p K a values from EEM atomic charges
Vareková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skrehota, Ondrej, Bouchal, Tomás, Sehnal, David, Abagyan, Ruben, Koca, Jaroslav
Published in Journal of cheminformatics (01.01.2013)
Published in Journal of cheminformatics (01.01.2013)
Get full text
Journal Article
Predicting p K a Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
Svobodová Vařeková, Radka, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Kudera, Michal, Sehnal, David, Bouchal, Tomáš, Abagyan, Ruben, Huber, Heinrich J., Koča, Jaroslav
Published in Journal of chemical information and modeling (22.08.2011)
Published in Journal of chemical information and modeling (22.08.2011)
Get full text
Journal Article
Predicting p Ka values from EEM atomic charges
Vařeková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Bouchal, Tomáš, Sehnal, David, Abagyan, Ruben, Koča, Jaroslav
Published in Journal of cheminformatics (10.04.2013)
Published in Journal of cheminformatics (10.04.2013)
Get full text
Journal Article