Efficient ring perception for the Chemistry Development Kit

Program Fullerene: A software package for constructing and analyzing structures of regular fullerenes

(2013) Peter Schwerdtfeger et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Unique Ring Families: A Chemically Meaningful Description of Molecular Ring Topologies

(2012) Adrian Kolodzik et al.   Journal of Chemical Information and Modeling

ZINC: A Free Tool to Discover Chemistry for Biology

(2012) John J. Irwin et al.   Journal of Chemical Information and Modeling

The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013

(2012) Janna Hastings et al.   NUCLEIC ACIDS RESEARCH

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Small Molecule Subgraph Detector (SMSD) toolkit

(2009) Syed Rahman et al.   Journal of Cheminformatics