Dearden, J. C. published the artcileMechanism-Based QSAR Modeling of Skin Sensitization, SDS of cas: 21834-92-4, the main research area is skin sensitizer QSAR modeling.
Many chems. can induce skin sensitization, and there is a pressing need for non-animal methods to give a quant. indication of potency. Using two large published data sets of skin sensitizers, we have allocated each sensitizing chem. to one of 10 mechanistic categories and then developed good QSAR models for the seven categories that have a sufficient number of chems. to allow modeling. Both internal and external validation checks showed that each model had good predictivity.
Chemical Research in Toxicology published new progress about Contact dermatitis. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, SDS of cas: 21834-92-4.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem