Discovering rare categories and classifying new instances of them is
an important data mining issue in many fields, but fully supervised
learning of a rare class classifier is pr...
In this paper we study the problem of classifying chemical compound datasets. We present a sub-structure-based classification algorithm that decouples the sub-structure discovery...
Mukund Deshpande, Michihiro Kuramochi, George Kary...
We present an algorithm to find fragments in a set of molecules that help to discriminate between different classes of, for instance, activity in a drug discovery context. Instea...
Missing data handling is an important preparation step for most data discrimination or mining tasks. Inappropriate treatment of missing data may cause large errors or false result...