title: NPPD (spy dust) is predicted to be a mutagen.
abstract: With the aid of CASE, the Computer Automated Structure Evaluation system, a new artificial intelligence procedure to study structure-activity relationships and a data base consisting of 233 monocyclic nitroarenes, it is predicted that 5-(4-nitrophenyl)-2,4-pentadienal will be mutagenic for Salmonella typhimurium but that the activity will be very low.
mesh_terms: D003201:Computers; D009153:Mutagens; D009578:Nitrobenzenes / Q000633:toxicity*; D012486:Salmonella typhimurium / Q000187:drug effects; D013329:Structure-Activity Relationship
chemical_list: D009153:Mutagens; D009578:Nitrobenzenes; C047633:5-(4-nitrophenyl)-2,4-pentadienal