23rd EuroQSAR

23rd European Symposium on Quantitative Structure-Activity Relationship

Integrative Data-Intensive Approaches to Drug Design

 Heidelberg, Germany    September 26-30, 2022

Workshops

A series of workshops will be organised during EuroQSAR. The workshops are free of charge but for organisational reasons, participants are kindly requested to sign up for the workshops of their interest via their online registration.

Monday, September 26| 15:00-16:00

Schrödinger workshop
QSAR Expert in a Box: Automated Machine Learning for ADMET properties
Presenter: Anna Bochicchio & Stephan Ehrlich 

  • Learn about DeepAutoQSAR, Schrödinger’s automated QSAR/QSPR model building workflow
  • Build ADMET models based on public data
  • Analyze models and draw conclusions on model quality and predictivity
  • Bring your own laptop! Every participant will receive a trial license and will need to download and install the software beforehand.

Tuesday, September 27| 13:00-14:00

WuXi AppTec workshop
Introduction to Self-Service DNA-Encoded libraries (DELs)
Presenter: Dr. Alex Satz, Senior Director DEL Strategy and Operations, WuXi AppTec

DNA-Encoded library (DEL) screening is now commonly used in the pharmaceutical industry and academia to find novel chemical matter that modulates protein targets of interest.  We will discuss how DELopen and DELight kits work.  DELopen is a freely accessible collection of DELs that can be used for academic drug-discovery.  DELight is a self-service kit that allows pharmaceutical companies to conduct a DEL screen in their own lab, without needing to reveal the identity of their target.

Wednesday, September 28 | 13:15 - 14:15

Workshop "Orienting your career compass"
Organisers: Giulia Paiardi and Giulia D'Arrigo (HITS, Heidelberg)

Outstanding representatives from industry and academia will share their work-life experiences, providing hints for young researchers on advancing their career. Emphasis will be placed on the challenges and opportunities faced when shaping their professional path, how they aligned personal goals with company/institutional strategic targets or vice versa, and the elusive concept of “work-life balance”.  After the presentations, a Q&A session will give young researchers the possibility to interactively discuss with the speakers.

Programme:

  • 13.15 to 13.35: Dr Friedrich Rippmann (Director, Computational Chemistry & Biologics, Merck Healthcare KGaA) – “How to survive, and still do science, in industry”
  • 13.35 to 13.55: Prof. Andrew R. Leach (Head of Chemical Biology at EMBL-EBI and Head of Industry Partnerships) – “How did I get here? Career ladder or career lattice?”
  • 13.55 to 14.15: Discussion – Q&A