Hazard assessment of nanomaterials: how to meet the requirements for (next generation) risk assessment

Longhin, Eleonora Marta; Rios-Mondragon, Ivan; Mariussen, Espen; Zheng, Congying; Busquets, Martí; Gajewicz-Skretna, Agnieszka; Hofshagen, Ole-Bendik; Bastus, Neus Gómez; Puntes, Victor Franco; Cimpan, Mihaela Roxana; Shaposhnikov, Sergey; Dusinska, Maria; Rundén-Pran, Elise

doi:10.1186/s12989-024-00615-4

Particle and Fibre Toxicology

Table 6 Details of the classification tree (CT) model developed to predict cytotoxic responses in the colony forming efficiency (CFE) assay for human lung epithelial A549 cells

From: Hazard assessment of nanomaterials: how to meet the requirements for (next generation) risk assessment

Nanoform	ZP DMEM T0	HDD DMEM T0	Aspect ratio	Set	Cytotoxicity (CFE assay)		Correctness
Nanoform	ZP DMEM T0	HDD DMEM T0	Aspect ratio	Set	Observed	Predicted	Correctness
Ag nanowires	− 3.29	258.20	175.00	T	Toxic	Toxic	TRUE
Ag 50 nm NPs	− 6.64	84.41	1.00	T	Toxic	Toxic	TRUE
Ag 20 nm NPs	− 7.19	61.55	1.00	T	Toxic	Toxic	TRUE
CeO₂ stamps	− 10.30	66.20	2.00	T	Toxic	Toxic	TRUE
SMOTE sample data-1	− 6.93	72.34	1.00	T	Toxic	Toxic	TRUE
SMOTE sample data-2	− 7.13	64.01	1.00	T	Toxic	Toxic	TRUE
SMOTE sample data-3	− 6.94	71.91	1.00	T	Toxic	Toxic	TRUE
CeO₂ NPs	− 9.46	75.09	1.00	T	Slightly-toxic	Slightly-toxic	TRUE
TiO₂ aggregates	− 10.20	233.90	1.25	T	Slightly-toxic	Slightly-toxic	TRUE
SMOTE sample data-4	− 10.16	224.45	1.24	T	Slightly-toxic	Slightly-toxic	TRUE
SMOTE sample data-5	− 9.49	82.32	1.01	T	Slightly-toxic	Slightly-toxic	TRUE
SMOTE sample data-6	− 9.81	150.03	1.12	T	Slightly-toxic	Slightly-toxic	TRUE
SMOTE sample data-7	− 9.79	146.33	1.11	T	Slightly-toxic	Slightly-toxic	TRUE
SMOTE sample data-8	− 9.76	140.04	1.10	T	Slightly-toxic	Slightly-toxic	TRUE
TiO₂ NPs	− 10.70	303.80	1.25	T	Non-toxic	Non-toxic	TRUE
TiO₂ nanorods	− 10.90	203.10	3.70	T	Non-toxic	Non-toxic	TRUE
CeO₂ aggregates	− 9.93	2786.00	1.00	T	Non-toxic	Non-toxic	TRUE
SMOTE sample data-9	− 10.71	299.21	1.36	T	Non-toxic	Non-toxic	TRUE
SMOTE sample data-10	− 10.79	258.63	2.35	T	Non-toxic	Non-toxic	TRUE
SMOTE sample data-11	− 10.67	410.95	1.24	T	Non-toxic	Non-toxic	TRUE
SMOTE sample data-12	− 10.28	1660.73	1.11	T	Non-toxic	Non-toxic	TRUE
SMOTE sample data-13	− 6.66	83.42	1.00	V	Toxic	Toxic	TRUE
SMOTE sample data-14	− 3.44	250.28	167.07	V	Toxic	Toxic	TRUE
SMOTE sample data-15	− 8.28	76.24	1.45	V	Toxic	Toxic	TRUE
SMOTE sample data-16	− 10.11	215.32	1.22	V	Slightly-toxic	Slightly-toxic	TRUE
SMOTE sample data-17	− 9.54	92.17	1.03	V	Slightly-toxic	Slightly-toxic	TRUE
SMOTE sample data-18	− 9.86	161.39	1.14	V	Slightly-toxic	Slightly-toxic	TRUE
SMOTE sample data-19	− 10.89	209.09	3.55	V	Non-toxic	Non-toxic	TRUE
SMOTE sample data-20	− 10.79	256.28	2.41	V	Non-toxic	Non-toxic	TRUE
SMOTE sample data-21	− 10.72	292.97	1.51	V	Non-toxic	Non-toxic	TRUE

T and V indicate training and test sets, respectively

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