Predicting pKa values of substituted phenols by QSPR models
which employ EEM atomic charges

Skip to top bar Skip to header Skip to content Skip to footer

Publications Detailed Information on Publication Record

Detailed Information on Publication Record

a 2012

Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges

GEIDL, Stanislav, Radka SVOBODOVÁ VAŘEKOVÁ, Crina-Maria IONESCU, Ondřej SKŘEHOTA, Tomáš BOUCHAL et. al.

Basic information

Original name

Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges

Authors

GEIDL, Stanislav, Radka SVOBODOVÁ VAŘEKOVÁ, Crina-Maria IONESCU, Ondřej SKŘEHOTA, Tomáš BOUCHAL, Michal KUDERA, David SEHNAL, Abagyan RUBEN and Jaroslav KOČA

Edition

3rd Strasbourg Summer School in Chemoinformatics, 2012

Other information

Type of outcome

Konferenční abstrakt

Confidentiality degree

není předmětem státního či obchodního tajemství

Změněno: 27/7/2014 19:01, RNDr. Stanislav Geidl, Ph.D.

GEIDL, Stanislav, Radka SVOBODOVÁ VAŘEKOVÁ, Crina-Maria IONESCU, Ondřej SKŘEHOTA, Tomáš BOUCHAL, Michal KUDERA, David SEHNAL, Abagyan RUBEN and Jaroslav KOČA. Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges. In 3rd Strasbourg Summer School in Chemoinformatics. 2012.

@proceedings{1188330,
   author = {Geidl, Stanislav and Svobodová Vařeková, Radka and Ionescu, CrinaandMaria and Skřehota, Ondřej and Bouchal, Tomáš and Kudera, Michal and Sehnal, David and Ruben, Abagyan and Koča, Jaroslav},
   booktitle = {3rd Strasbourg Summer School in Chemoinformatics},
   title = {Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges},
   year = {2012}
}

TY  - CONF
ID  - 1188330
AU  - Geidl, Stanislav - Svobodová Vařeková, Radka - Ionescu, Crina-Maria - Skřehota, Ondřej - Bouchal, Tomáš - Kudera, Michal - Sehnal, David - Ruben, Abagyan - Koča, Jaroslav
PY  - 2012
TI  - Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges
ER  -

GEIDL, Stanislav, Radka SVOBODOVÁ VAŘEKOVÁ, Crina-Maria IONESCU, Ondřej SKŘEHOTA, Tomáš BOUCHAL, Michal KUDERA, David SEHNAL, Abagyan RUBEN and Jaroslav KOČA. Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges. In \textit{3rd Strasbourg Summer School in Chemoinformatics}. 2012.