Table 6.

The identified fragments by the information gain (IG) method couple with frequency analysis for BCRP inhibitors

Fragment	Name	Count1a	Count2b	F1c	F2d	IG
	Quinazoline	175	14	2.3604	0.1219	0.0665
	N,2-diphenylquinazolin-4-amine	92	0	2.5492	0.0000	0.0456
	Pyrazolo[1,5-a]pyrimidine	85	8	2.3299	0.1415	0.0299
	4H-chromene	104	23	2.0875	0.2980	0.0263
	2-phenyl-4H-chromene	55	3	2.4173	0.0851	0.0216
	2H-tetrazole	65	12	2.1519	0.2564	0.0177
	Piperazine	90	30	1.9119	0.4114	0.0171
	N,2-diphenylpyrido[2,3-d]pyrimidin-4-amine	31	0	2.5492	0.0000	0.0151
	2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole	29	0	2.5492	0.0000	0.0141
	(R)-2-benzyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole	27	0	2.5492	0.0000	0.0131
	N-benzyl-2-(2-phenyl-2H-tetrazol-5-yl)aniline	41	5	2.2721	0.1789	0.0131
	Pyrido[2,3-d]pyrimidine	32	2	2.3992	0.0968	0.0122

^aCount1 denotes the number of inhibitors containing the fragment

^bCount2 denotes the number of non-inhibitors containing the fragment

^cF1 denotes the fragment frequency in the inhibitor class

^dF2 denotes the fragment frequency in the non-inhibitor class