ChemmineR is an R package for mining drug-like compound and screening data sets. It contains functions for structural similarity searching, clustering of compound libraries with a wide spectrum of algorithms and utilities for managing complex compound data sets. In addition, it offers visualization functions for compound clusters and chemical structures. The package is well integrated with the online ChemMine database and allows bidirectional communications between the two services. The integration of chemoinformatic tools with the R programming environment has many advantages, such as easy access to a wide spectrum of statistical methods, machine learning algorithms and graphic utilities. If you use the ChemmineR package for your research, then please cite:

Cao Y, Charisi A, Cheng LC, Jiang T, Girke T (2008) ChemmineR: A Compound Mining Framework for R. Bioinformatics: 24, 1733-1734. HubMed.