Using the model deployment and prediction service, I put up the two linear regression models I had built so far (described in more detail here) While REST is nice, a simple web page that allows you to paste a set of SMILES and get back predictions is handy. So I whipped together a simple interface to the prediction service, allowing one to select a model, view the author-generated description and a get a nice (sortable!) table of predicted values. View it here. As noted in my previous post it’s not going to be very fast, but hopefully that will change in the future.
ONS Solubility Predictions
January 14, 2009 by Rajarshi Guha
Posted in software | Tagged ons, prediction, qsar, REST, solubility | Leave a Comment
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