Filtrování

    2012

    1. Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges a - Konferenční abstrakt
      GEIDL, Stanislav; Radka SVOBODOVÁ VAŘEKOVÁ; Crina-Maria IONESCU; Ondřej SKŘEHOTA; Tomáš BOUCHAL; Michal KUDERA; David SEHNAL; Abagyan RUBEN a Jaroslav KOČA. Predicting pKa values of substituted phenols by QSPR models which employ EEM atomic charges. In 3rd Strasbourg Summer School in Chemoinformatics. 2012.
      Podrobněji: https://is.muni.cz/publication/1188330/cs

    2011

    1. How the methodology of 3D structure preparation influences the quality of QSPR models? a - Konferenční abstrakt
      GEIDL, Stanislav; Roman BERÁNEK; Radka SVOBODOVÁ VAŘEKOVÁ; Tomáš BOUCHAL; Miroslav BRUMOVSKÝ; Michal KUDERA; Ondřej SKŘEHOTA a Jaroslav KOČA. How the methodology of 3D structure preparation influences the quality of QSPR models? In 7th German Conference on Chemoinformatics. 2011.
      Podrobněji: https://is.muni.cz/publication/963799/cs
    2. Predicting pKa values of substituted phenols from atomic charges. a - Konferenční abstrakt
      GEIDL, Stanislav; Radka SVOBODOVÁ VAŘEKOVÁ; Ondřej SKŘEHOTA; Michal KUDERA; Crina-Maria IONESCU; David SEHNAL; Tomáš BOUCHAL a Jaroslav KOČA. Predicting pKa values of substituted phenols from atomic charges. In 9th Discussions in Structural Molecular Biology, Nové Hrady, Czech Republic. 2011.
      Podrobněji: https://is.muni.cz/publication/932285/cs
    3. Predicting pK(a) values of substituted phenols from atomic charges: Comparison of different quantum mechanical methods and charge distribution schemes J - Článek v odborném periodiku
      SVOBODOVÁ VAŘEKOVÁ, Radka; Stanislav GEIDL; Crina-Maria IONESCU; Ondřej SKŘEHOTA; Michal KUDERA; David SEHNAL; Tomáš BOUCHAL; Ruben A. ABAGYAN; Heinrich J. HUBER a Jaroslav KOČA. Predicting pK(a) values of substituted phenols from atomic charges: Comparison of different quantum mechanical methods and charge distribution schemes. Journal of Chemical Information and Modeling. 2011, roč. 51, č. 8, s. 1795-1806. ISSN 1549-9596.
      Podrobněji: https://is.muni.cz/publication/950090/cs
    4. QSPR modeling – algorithms, challenges and IT solutions a - Konferenční abstrakt
      SKŘEHOTA, Ondřej; Radka SVOBODOVÁ VAŘEKOVÁ; Stanislav GEIDL; Michal KUDERA; David SEHNAL; Crina-Maria IONESCU; Tomáš BOUCHAL a Jaroslav KOČA. QSPR modeling – algorithms, challenges and IT solutions. In 9th Discussions in Structural Molecular Biology, Nové Hrady, Czech Republic. 2011.
      Podrobněji: https://is.muni.cz/publication/932286/cs

    2010

    1. QSPR Designer - a program to design and evaluate QSPR models. Case study on pKa prediction D - Stať ve sborníku
      SKŘEHOTA, Ondřej; Radka SVOBODOVÁ VAŘEKOVÁ; Stanislav GEIDL; Michal KUDERA; David SEHNAL; Crina-Maria IONESCU a Jaroslav KOČA. QSPR Designer - a program to design and evaluate QSPR models. Case study on pKa prediction. In 6th German Conference on Chemoinformatics. 2010.
      Podrobněji: https://is.muni.cz/publication/903471/cs
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