Transporter Models

Computational Models for Prediction of Ligand-Transporter Interaction

DATA CURATION

Manually curated data for high quality training sets

MODEL BUILDING

Cutting edge machine learning algorithms accounting for imbalanced training sets

DATA ANALYSIS

Traffic light system for results including visualisation of applicability domain assessment

Transmembrane Transport Proteins (TMTs) control nutrient uptake, ion transport, and drug transport across biological membranes. Predicting substrate and inhibition profiles of small molecules towards these transporters helps medicinal chemists to prioritize compounds in an early phase of the drug development process and guide toxicologists in the safety assessment of candidate compounds. Based on our long-lasting experience in the field of transporter informatics we offer a set of high quality computational models for predicting inhibitor profiles of small molecules towards a set of TMTs.

The Phenaris Transporter Models can predict ligand-transporter interaction in 3 easy steps: log-in, upload SDF files, run prediction.

Our model portfolio is constantly updated and expanded. Currently we are offering models for 9 transporter which are involved in drug/drug interactions and hepatoxicity. These include prediction of inhibitors of P-glycoprotein, BCRP, BSEP, MRP3, OATP1B1, OATP1B3, OCT1, OCT2, and MATE1. More transporter to come soon!

REQUEST ACCESS

To give you a closer insight into the functionalities and design of our Transporter Models we also produced a short demo video. See how you can easily draw and analyse your compounds and get results in a standardised and aggregated form with state of the art data visualisation in just a few minutes: 

Transporter Models demo video

For a free web-service of our models, please visit livertox.univie.ac.at.

Embedded Content from other Websites
On the following page we would like to load and display content from third parties for you. Please confirm your consent first.
Embedded Content from other Websites
On the following page we would like to load and display content from third parties for you. Please confirm your consent first.