So much to do, so little time

Trying to squeeze sense out of chemical data

ONS Solubility Predictions

without comments

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.

Written by Rajarshi Guha

January 14th, 2009 at 9:31 pm

Posted in software

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