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README.md

bayseg

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.

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