Medicinal Chemistry Research Group
Research Centre for Natural Sciences, Budapest


Dávid Bajusz

research assistant


Email: bajusz.davidttkmtahu
Phone: +36 1 3826 974

Scientific interests: computational chemistry, molecular modelling, drug design

CV Publications ORCID Scopus MTMT

Selected publications

  1. Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening
    D. Bajusz, G. G. Ferenczy, G. M. Keserű
    Journal of Chemical Information and Modeling, 2016, 56 (1), 234-247.


  2. Comparison of classification methods with “n-class” receiver operating characteristic curves: A case study of energy drinks
    Anita Rácz, Dávid Bajusz, Marietta Fodor, Károly Héberger
    Chemometrics and Intelligent Laboratory Systems, 2016, 151, 34–43.


  3. Property-based characterization of kinase-like ligand space for library design and virtual screening
    D. Bajusz, G. G. Ferenczy, G. M. Keserű
    MedChemComm, 2015, 6, 1898-1904.


  4. Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters
    A. Rácz, D. Bajusz, K. Héberger
    SAR and QSAR in Environmental Research, 2015, 26, 683-700.


  5. Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
    D. Bajusz, A. Rácz, K. Héberger
    Journal of Cheminformatics, 2015, 7, 20