TY - JOUR PY - 1995// TI - A quantitative structure-activity relationship for the eye irritation potential of neutral organic chemicals JO - Toxicology letters A1 - Barratt, M. D. SP - 69 EP - 74 VL - 80 IS - 1-3 N2 - Quantitative structure-activity relationships (QSARs) have been derived relating eye irritation data of a set of neutral organic chemicals to log(octanol-water partition coefficient), the minor principal inertial axes (Ry and Rz) and dipole moment. Datasets were analysed using principal components analysis; plots of the first 2 principal components of the above parameters showed that the analysis was able to discriminate well between the irritant and non-irritant chemicals in the dataset. The derived QSAR could be useful for the prediction of the eye irritation potential of new or untested chemicals within this category.
Language: en
LA - en SN - 0378-4274 UR - http://dx.doi.org/ ID - ref1 ER -