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© 1990 Oxford University Press

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Computer-Automated Structure Evaluation (CASE) of Retinoids in Teratogenesis Bioassays

MANTON R. FRIERSON*, FRANCES A. MIELACH1 and D. M. KOCHHAR{dagger}

*Biofor, Inc. Waverly, Pennsylvania 18471 {dagger}Department of Anatomy, Jefferson Medical College Philadelphia, Pennsylvania 19107

Received September 13, 1988; accepted August 9, 1989

Computer-Automated Structure Evaluation (CASE) of Retinoids in Teratogenesis Bioassays. FRIERSON, M. R., MIELACH, F. A., AND KOCHHAR, D. M. (1990). Fundam. Appl. Toxicol. 14, 408–428. The potential usefulness of the retinoids, a large group of synthetic compounds chemically and structurally related to vitamin A, in the treatment of severe dermatologic diseases and in the prophylaxis and therapy against cancer is severely limited because of their potential teratogenicity. CASE analysis of published retinoid data from the hamster teratogenic-ity assay and the limb bud "spot" culture system has targeted the hydrophobic region of the retinoids as having the greatest effect on the range of potencies studied. In addition, log p's (as calculated by the CASE program) below a certain value appear to unilaterally result in nontera-togenic retinoids in the In vivo hamster assay system.


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