PREDICTION OF THE CARCINOGENICITY OF A 2ND GROUP OF ORGANIC-CHEMICALSUNDERGOING CARCINOGENICITY TESTING

Twenty-four organic compounds currently undergoing testing within canc er bioassays under the aegis of the U.S. National Toxicology Program ( NTP) were submitted to the computer automated structure evaluation (CA SE) and multiple computer automated structure evaluation (MULTICASE) s ystem for predictions of activity. Individual predictions resulting fr om the NTP combined rodent, NTP mouse, Carcinogenic Potency Database ( CPDB) combined rodent, and CPDB mouse databases were combined using Ba yes' theorem to yield an overall probability of rodent carcinogenicity . Based upon an arbitrary probability cut-off of 0.50, nine compounds were predicted to be rodent carcinogens. The predicted carcinogens are chloroprene, 1-chloro-2-propanol, codeine, emodin, furfuryl alcohol, isobutyraldehyde, primaclone, sodium xylenesulfonate, and t-butylhydro quinone.