Transporter Models StarDrop integration
Last week we held a webinar organised by our colleagues from Optibrium on “In Silico Transporter Modeling and its Role in Computational Toxicology”, where we presented our new Phenaris Transporter Models StarDrop integration.
In this webinar, we outlined 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 was also used to overcome insufficient size and imbalance of toxicity datasets. The combined use of structure-based methods for the prediction of molecular initiating events and machine learning led to a model for mitochondrial toxicity.
We also demonstrate the latest integration of StarDrop with our Transporter Model Platform. You can find additional information on this script, including a download link on its dedicated Optibrium Community page (download requires free registration to our Community section).
The webinar was recorded and can be watched on the Optibrium website: