Drug discovery is the process of designing compounds that have desirable properties, such as activity and non-toxicity. Molecule classification techniques are used along this process to predict the properties of the compounds in order to expedite their testing. Ideally, the classification rules...

Two-group classification is a key task in decision making and data mining applications. We introduce two new mixed integer programming formulations that make use of multiple separating hyperplanes. They represent a generalization of previous piecewise-linear models that embed rules having the...