23rd European Symposium on Quantitative Structure-Activity Relationship, Heidelberg, Germany

September 26, 2022 to September 30, 2022

Schrödinger is proud to be participating in the 23rd European Symposium on Quantitative Structure-Activity Relationship conference taking place on September 26th-30th, 2022. Featuring workshops, presentations, and poster sessions by Schrödinger scientists. Stop by Schrödinger's booth #9 to learn more.

 

Agenda:

September 26th 
3:00pm CESTAnna Bochicchio & Stephan Ehrlich
Workshop - "QSAR Expert in a Box: Automated Machine Learning for ADMET properties"
 

Key Objectives:

  • 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
September 29th 
5:00pm CESTStephan Ehrlich
Presentation -  "QRNN: Transferable Neural Network for Potential Energy Surfaces of Closed-Shell Organic Molecules Including Ions"
September 27th-29th 

27th | 5:30pm CEST
28th | 6:00pm CEST
29th | 5:40pm CEST

 

Anna Bochicchio
Poster Session - "Predicting Binding Affinities of Nucleic Acid Ligands with Free Energy Perturbation"

27th | 5:30pm CEST
28th | 6:00pm CEST
29th | 5:40pm CEST

 

Carsten Detering
Poster Session - "From Ideas to Medicines - Discovery of Clinical Candidates with an ML Driven Physics-Based Technology Platform"

 

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