Table 5.

In silico Toxicity of selected compounds.

N°	Name	algae_at	Ames_test	Carcino_Mouse	Carcino_Rat	daphnia_at	hERG_inhibition	medaka_at	minnow_at	TA100_10RLI	TA100_NA	TA1535_10RLI	TA1535_NA
1	Gallic acid	0.0780307	mutagen	negative	positive	0.689639	low_risk	0.591427	0.22656	negative	positive	positive	negative
2	Methyl gallate	0.0747441	mutagen	negative	positive	0.693308	low_risk	0.584076	0.280741	negative	positive	positive	positive
6	Protocatechuic acid	0.0971347	mutagen	negative	positive	0.668698	low_risk	0.53684	0.194292	negative	positive	positive	negative
7	Hinokiflavone	0.00169272	mutagen	negative	positive	0.00465568	medium_risk	7.35421e-005	0.000103708	negative	negative	negative	negative
11	Kaempferol	0.0483223	mutagen	negative	positive	0.196882	medium_risk	0.0642539	0.0294885	negative	positive	negative	negative
12	Myricetin	0.0291424	mutagen	negative	positive	0.23573	low_risk	0.0961311	0.0399958	negative	positive	negative	negative
13	Butein	0.0290945	mutagen	negative	positive	0.0992371	medium_risk	0.0165333	0.00980503	negative	negative	negative	negative
14	β-caryophyllene	0.0133391	mutagen	negative	positive	0.038144	medium_risk	0.00197809	0.000587073	negative	negative	negative	negative
15	Artemisinin	0.0343163	mutagen	negative	positive	0.155968	low_risk	0.0310529	0.020973	negative	negative	positive	negative
16	Camphor	0.0520106	mutagen	negative	positive	0.657225	low_risk	0.44056	0.340321	negative	negative	positive	negative