We present an approach to reconstructing chemical reaction networks from time series measurements of the concentrations of the molecules involved. Our solution strategy combines t...
Cheminformatic Assisted Image Array (CAIA) is a data mining and visualization tool linking chemical structures to microscope images of cells incubated with prospective bioimaging ...
Maria M. Posada, Kerby Shedden, Young Tae Chang, Q...
Data mining courses are increasingly being taught at many universities at both undergraduate and graduate levels. This paper reports on a new graduate level data mining course run...
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...