Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

	ID:	96
	Name:	Fumaric acid
	Description:
	Labels:
	CAS:	110-17-8
	InChi Code:	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+

Properties

AMES: Ames test mutagenicity class

Value	Source or prediction
non-mutagen	experimental value
non-mutagen	Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)

MCGM: Mammalian cell gene mutation test class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq5: Model for α,β-unsaturated carbonyl compounds (Training set)