We just rolled out half-life prediction on our server. We implemented the method by Salz et al. You can predict half-lives for compounds and metabolites. Our standard model does this now automatically and you can see the information in the pathway view.
Let us know what you think! We have new features planned and more will be published soon, if you have any suggestions what to prioritize, let us know in the comments below!
If you want to try it out visit the predict page.
Insert the structure of your choice and make sure to use the correct Predictor as shown in the image
Once the Pathway prediction is done and you’ve reloaded the page you can click on “View” followed by a click on “Show Predicted Properties”
If you now hover over a Node in the Pathway you’ll see the Predicted DT50
If you dont see the predicted DT50 when hovering make sure you’ve used the correct setting (you can verify it by checking the setting below the Pathway visualization) and try to reload the page.
As with the other Models available in enviPath you can visit the Model Page and use the Model directly, by inserting a SMILES and hit the “Predict” button.
For other Models check the Public Prediction Models Package
