Barbara Zdrazil

Data Science & Computational Molecular Design

Menu
  • Home
  • Research
    • Hepatic OATPs
    • Analysis of Large Chemical Space
    • Computational Toxicology
  • People
  • Publications
  • Teaching
Menu

Data Science & Computational Molecular Design

We are addressing fundamental biological and biomedical questions by integrating large-scale data analyses, bioactivity profiling, and computational modeling (both ligand- and structure-based). By applying computational molecular design techniques together with data science approaches, a timely and effective way of utilizing the available (open) data to answer the biomedical question is always part of our research strategy. Putting the question from the molecular level into a larger (data) context delivers a more comprehensive picture of the biological event.

Group Picture in Times of COVID-19

Latest Paper

Combining In Vivo Data with In Silico Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction.

Sankalp Jain, Ulf Norinder, Sylvia E. Escher, and Barbara Zdrazil

Chemical Research in Toxicology DOI: 10.1021/acs.chemrestox.0c00511

Illustration of the semiautomatic KNIME workflow used for model generation with the Stratified Bagging modeling framework.



Contact

Mag. Dr. Barbara Zdrazil, Priv. Doz.
Department of Pharmaceutical Chemistry
University of Vienna
Althanstraße 14 (UZA II)
1090 Vienna, Austria
Room 2D 551

📞+43-1-4277-55116
📧barbara.zdrazil@univie.ac.at
BZdrazil

Meet us

RSC-CICAG Open Chemical Sciences conference, Session: Open  Data for Chemistry, November 9-13, virtual meeting

Miscellaneous

Imprint
Privacy Policy
Follow me on Twitter
https://orcid.org/0000-0001-9395-1515
Connect with me on LinkedIn
© 2021 Barbara Zdrazil | Powered by Minimalist Blog WordPress Theme