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
 

Combining bioactivity data from different sources for ML predictions can lead to high variance in values and differences in chemical space. This study...

Open Access
 

Given the complexity of the T-cell response, we explored different approaches to enhance the model’s performance and generalizability. This involved...

Open Access
 

Are you curious what is known about SLCs? And how they are related? We are enthusiastic about our manuscript presenting the data- and...