HitPick: a web server for hit identification and target prediction of chemical screenings

idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach

(2012) Jui-Chih Wang et al.   NUCLEIC ACIDS RESEARCH

Chemical informatics and target identification in a zebrafish phenotypic screen

(2011) Christian Laggner et al.   Nature Chemical Biology

STITCH 3: zooming in on protein-chemical interactions

(2011) M. Kuhn et al.   NUCLEIC ACIDS RESEARCH

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

An overview of the PubChem BioAssay resource

(2009) Yanli Wang et al.   NUCLEIC ACIDS RESEARCH

Large-scale prediction of drug-target relationships

(2008) Michael Kuhn et al.   FEBS LETTERS