Table 1. List of positive and negative hits with experimental values.

NA, not available.

Name	Water solubility	Concentration (mg)	Predicted by QSPR				Experimental
			LE 80	LC 10	LC 20	LC 30	LE (%)	LC (%)
Positive hits
Podophyllotoxin	Very slightly soluble	15	NA	NA	NA	NA	23.8	26.3
		10	1	1	1	1	58.7	37.0
		8	1	1	1	0	95.2	43.2
		4	1	1	0	0	95.6	27.7
		2	1	1	0	0	100.0	16.7
Rutin	Slightly soluble	15	NA	NA	NA	NA	3.9	5.6
		10	1	1	1	1	6.5	6.1
		8	1	1	1	0	45.1	26.5
		4	1	1	1	0	60.3	19.5
		2	1	1	0	0	74.5	13.0
Teniposide	Insoluble	15	NA	NA	NA	NA	1.5	2.2
		10	1	1	1	1	6.1	5.7
		8	1	1	1	1	85.0	14.5
		4	1	1	1	0	76.1	23.3
		2	1	1	0	0	85.0	14.5
Diosmin	Slightly soluble	15	NA	NA	NA	NA	Insoluble	Insoluble
		10	1	1	1	1	Insoluble	Insoluble
		8	1	1	1	0	Insoluble	Insoluble
		4	1	1	1	0	Insoluble	Insoluble
		2	1	1	0	0	Insoluble	Insoluble
Negative hits
Olanzapine	Insoluble	15	NA	NA	NA	NA	9.7	12.7
		10	0	0	0	0	6.1	5.8
		8	0	0	0	0	4.1	3.2
		4	0	0	0	0	7.0	2.7
		2	0	0	0	0	42.3	7.8
Simvastatin	Insoluble	15	NA	NA	NA	NA	5.0	7.0
		10	0	0	0	0	19.9	16.6
		8	0	0	0	0	87.2	41.1
		4	0	0	0	0	74.6	23.0
		2	0	0	0	0	87.2	14.8
Spironolactone	Insoluble	15	NA	NA	NA	NA	3.4	4.9
		10	0	0	0	0	31.8	24.1
		8	0	0	0	0	20.9	14.3
		4	0	0	0	0	53.8	17.7
		2	0	0	0	0	82.9	14.2
Tamibarotene	Insoluble	15	NA	NA	NA	NA	0.9	1.3
		10	0	0	0	0	2.0	1.9
		8	0	0	0	0	9.9	7.4
		4	0	0	0	0	87.3	25.9
		2	0	0	0	0	89.7	15.2