ACS Spring 2020 National Meeting & Expo

02.05.2020

Our contributions for the ACS Meeting in Philadelphia are now online. Please have a look at our posters, each including a short video pitch.

Combining matched molecular pairs with binding pocket analysis to gain new insights into molecular features driving drug binding kinetics

Proteochemometric modeling of GABA transporters

Using machine learning methods and structural alerts for prediction of mitochondrial toxicity

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Open Access
 

A new study showcases KNIME-based workflows that allow researchers to systematically evaluate how common bioisosteric replacements influence potency...

News
 

On 19 September 2025, Abir successfully defended her PhD thesis entitled "Toxicity predictions of biological drugs". Congratulations! We will miss you...

Event
 

Thank you all! The summer school especially focuses on students and professionals who have a clear interest in learning the basics as well as latest...