SaferWorldbyDesign Webinar: In silico transporter modeling and its role in computational toxicology

Thursday 16 April 2020

10.00-10:45 East Coast, 16-16:45 CET - (7 am California, 10 am New York, 15.00 London, 16.00 Zurich, 20.30 New Delhi, 24.00 Tokyo)

Signup here

Gerhard F. Ecker, Department of Pharmaceutical Chemistry, University of Vienna, Vienna, Austria Phenaris GmbH, Vienna, Austria 

Presented by a partner of the recently established EU-ToxRisk Commercial Platform for New Approach Methods (NAMs) in Safety Assessment.

Transmembrane transporters not only play a major role in ADME but they are also increasingly linked to toxicity. In this Webinar, Gerhard Ecker will outline computational approaches to predict the transporter interaction profile of compounds in order to minimize the risk of failures in drug development. Methods presented comprise classical machine learning models as well as deep learning approaches. The latter were also used to overcome insufficient size and imbalancy of toxicity datasets. A combined use of structure-based methods for prediction of molecular initiating events and machine learning led to a model for mitochondrial toxicity. Leveraging complex data analysis pursued with KNIME workflows allows the creation of compound-pathway interaction fingerprints linked to hepatotoxicity and cardiotoxicity. Finally, ToxPHACTS, a data driven tool for toxicological read across will be presented. 

Latest Tweets

Edelweiss Connect (Yesterday)
Join us for the upcoming #SaferWorldbyDesign webinar Validated HepaRG™ mechanistic methods as a tool for dynamic a… https://t.co/jQJSMIwWB3
Edelweiss Connect (4 weeks ago)
RT @barryhardy: Communicating cell culturing protocol knowledge - initial #HepaRG examples available on #saferworldbydesign https://t.co/O…
Edelweiss Connect (4 weeks ago)
RT @oak2: You may wonder: what does it mean, going digital, for a cell product like #HepaRG. This encompasses a set of various services suc…
Edelweiss Connect (2 months ago)
RT @skillsmatter: Next week at the #fsharpX 2020 virtual conference: See how #TypeProviders are built. @Odytrice will be sharing an exam…
Edelweiss Connect (2 months ago)
RT @Scivera: Did you miss our SaferWorldbyDesign webinar with @EdelweissConn - "Exploring and selecting safer chemical alternatives through…

Get in touch

  • Address: Edelweiss Connect GmbH
    Technology Park Basel
    Hochbergerstrasse 60C
    CH-4057 Basel / Basel-Stadt
    Switzerland

USA office

  • Address: Edelweiss Connect Inc
    Research Triangle Park NC
    800 Park Offices Dr
    Durham, NC 27709
    USA