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Computer-aided Pattern Scoring (C@PS): A Novel Cheminformatic Workflow to Predict Ligands with Rare Modes-of-action

Sven Marcel Stefan 1,2,3,ꝉ, Katja Stefan 1,2,ꝉ, Vigneshwaran Namasivayam 2,4,✉  

1 University of Oslo and Oslo University Hospital, Department of Pathology, Rikshospitalet, Sognsvannsveien 20, 0372 Oslo, Norway
2 University of Lübeck and University Medical Center Schleswig-Holstein, Lübeck Institute of Experimental Dermatology, Medical Systems Biology Division, Medicinal Chemistry and Systems Polypharmacology, Ratzeburger Allee 160, 23538 Lübeck, Germany
3 Medical University of Lublin, Department of Biopharmacy, Chodzki 4a, 20-093 Lublin, Poland
4 University of Bonn, Pharmaceutical Institute, Department of Pharmaceutical and Cellbiological Chemistry, An der Immenburg 4, 53121 Bonn, Germany

✉ Correspondence and requests for materials should be addressed to S.M.S.(sven.stefan@uni-luebeck.de) and V.N.(email: vnamasiv@uni-bonn.de)
ꝉ S.M.S. and K.S. contributed equally to this work
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