has specified data input has specified data output implements has format specification is executed in Image HTML data item Binning clustering method SDF format HTML report 'ChemmineR' http://bioconductor.org/packages/2.4/bioc/html/ChemmineR.html ChemMineR is an open source compound mining framework. It contains functions for atom descriptor calculation, structure similarity searching, clustering of compound libraries and various utilities for managing complex compound data. It also offers a wide range of visualization functions for compound clusters and chemical structures. The package is integrated with the online ChemMine environment and allows bidirectional communications between the two services. Nandini Badarinarayan distance calculation R software image format