Predicting the rate at which a substance will pass through human skin and into the bloodstream is a problem of current interest. We use Gaussian Process modeling to train a set of predictors using every combination of six molecular features. We find that only three of the features are needed for our best predictor. This result could be useful in the further analysis of skin permeability.
Published in:
Neural Networks (IJCNN), The 2010 International Joint Conference on
Date of Conference: 18-23 July 2010