A theoretical entropy score as a single value to express inhibitor selectivity

BMC Bioinformatics

Table 1 Selectivity metrics calculated for the Ambit kinase profiling dataset

code	Gini	S3uM	S10x	Pmax	Ka-Gini	entropies
PI-103	0.41	0.00	0.00	0.97	0.99	0.05
CI-1033	0.72	0.15	0.00	0.88	0.99	0.17
GW-2580	0.54	0.01	0.00	0.92	0.99	0.26
VX-745	0.51	0.03	0.00	0.92	0.99	0.28
Gefitinib	0.65	0.07	0.00	0.89	0.99	0.44
Lapatinib	0.57	0.01	0.00	0.70	0.99	0.70
Erlotinib	0.75	0.15	0.00	0.67	0.99	0.88
EKB-569	0.78	0.18	0.00	0.67	0.99	0.89
Imatinib	0.79	0.07	0.02	0.65	0.99	1.05
CP-724714	0.49	0.02	0.01	0.33	0.99	1.10
CP-690550	0.66	0.03	0.01	0.50	0.99	1.11
BIRB-796	0.81	0.16	0.00	0.47	0.99	1.15
PTK-787	0.71	0.03	0.02	0.44	0.98	1.54
SB-431542	0.42	0.02	0.01	0.14	0.98	1.56
MLN-518	0.74	0.06	0.01	0.26	0.98	1.58
LY-333531	0.76	0.16	0.01	0.42	0.98	1.68
CHIR-258	0.76	0.33	0.01	0.44	0.97	1.80
AZD1152HQPA	0.78	0.10	0.02	0.34	0.98	1.91
ABT-869	0.82	0.16	0.01	0.32	0.98	1.93
MLN-8054	0.75	0.13	0.01	0.36	0.97	1.95
Roscovitine	0.33	0.03	0.03	0.12	0.98	2.02
SU-14813	0.70	0.51	0.02	0.18	0.97	2.04
Sunitinib	0.67	0.57	0.02	0.11	0.97	2.05
GW-786034	0.80	0.21	0.02	0.33	0.97	2.06
SB-202190	0.76	0.09	0.02	0.35	0.97	2.08
Sorafenib	0.82	0.18	0.10	0.46	0.97	2.15
SB-203580	0.77	0.10	0.02	0.24	0.97	2.26
AMG-706	0.82	0.09	0.04	0.22	0.97	2.36
SNS-032	0.80	0.13	0.06	0.30	0.97	2.44
CHIR265	0.74	0.13	0.12	0.36	0.96	2.47
Flavopiridol	0.77	0.19	0.17	0.42	0.95	2.50
AST-487	0.73	0.45	0.04	0.11	0.95	2.74
ZD-6474	0.79	0.27	0.26	0.28	0.94	2.88
Staurosporine	0.35	0.87	0.50	0.02	0.93	2.91
VX-680	0.76	0.38	0.03	0.15	0.93	3.09
Dasatinib	0.79	0.28	0.10	0.03	0.93	3.21
PKC-412	0.71	0.47	0.08	0.10	0.88	3.72
JNJ-7706621	0.74	0.37	0.08	0.10	0.87	3.73

Values for various selectivity metrics. In the Additional file 1, this table is extended with compound rank ordering and rank differences, and colour coded for clarity.

ISSN: 1471-2105