ABCDEFGHIJKLMNOPQRSTUVWXYZ
1
Computer-aided pattern scoring (C@PS): A novel cheminformatic workflow to predict ligands of orphan targets

Katja Stefan
1,2, Vigneshwaran Namasivayam2,3,✉, Sven Marcel Stefan1,2,4,✉  

1University of Oslo and Oslo University Hospital, Department of Pathology, Rikshospitalet, Sognsvannsveien 20, 0372 Oslo, Norway
2University 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
3University of Bonn, Pharmaceutical Institute, Department of Pharmaceutical and Cellbiological Chemistry, An der Immenburg 4, 53121 Bonn, Germany
4Medical University of Lublin, Department of Biopharmacy, Chodzki 4a, 20-093 Lublin, Poland

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)
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100