Bayesian Segmentation & Bin Prediction Algorithm
Manuscript in progress: documentation en route to the scientific literature
Java files link to the latest Chemistry Development Kit (CDK) library
Provided by Collaborative Drug Discovery, Inc., and implemented by Alex M. Clark
Comes with a basic user interface, allowing SDfiles to be loaded as training/testing data; cross validation metrics be visualised, as well as predictions. Results can be saved as output SDfiles.