title: Similarity searching using compound class-specific combinations of substructures found in randomly generated molecular fragment populations.
authors.affiliation: Department of Life Science Informatics, Bonn-Aachen International Center for Information Technology, Rheinische Friedrich-Wilhelms-Universität Bonn, Dahlmannstr. 2, 53113 Bonn, Germany.
authors.forename: José
authors.initials: J
authors.lastname: Batista
authors.forename: Jürgen
authors.initials: J
authors.lastname: Bajorath
mesh_terms: D001665:Binding Sites; D002401:Cathepsin B / Q000737:chemistry* / Q000378:metabolism; D016208:Databases, Factual; D048088:Informatics / Q000379:methods*; D015394:Molecular Structure; D010446:Peptide Fragments / Q000737:chemistry* / Q000378:metabolism; D013329:Structure-Activity Relationship
chemical_list: D010446:Peptide Fragments; D002401:Cathepsin B