Structuring Chemical Space: Similarity-Based Characterization of the PubChem Database.

Cincilla, Giovanni; Thormann, Michael; Pons, Miquel.

Affiliation

Cincilla G; Institute for Research in Biomedicine Parc Científic de Barcelona, Baldiri Reixac, 10. 08028-Barcelona, Spain tel: +34 934034683; fax: +34 934039976.
Thormann M; Departament de Química Orgànica, Universitat de Barcelona, Martí i Franquès, 1-11, 08028-Barcelona, Spain.
Pons M; Origenis GmbH, Am Klopferspitz 19a, 82152 Martinsried, Germany.

Mol Inform ; 29(1-2): 37-49, 2010 Jan 12.

Article in En | MEDLINE | ID: mdl-27463847