title: Comparison and possible use of in silico tools for carcinogenicity within REACH legislation.
abstract: Seven in silico models have been used to assess the prediction accuracy of chemical compound carcinogenicity. More than 1500 compounds with experimental values have been used to evaluate the models. Here we review the application of these models for toxicity prediction and their advantages and disadvantages, discussing the different approaches underlying the models and their main critical points. Some models have fewer false negatives while others are better at avoiding false positives. Since carcinogenicity is typically evaluated using a series of studies, identification of a strategy using one, or preferably a battery of in silico models, could reduce the number of animal studies needed.
authors: Laboratory of Chemistry and Environmental Toxicology, Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy.
authors: Chiara
authors: C
authors: Milan
authors: Onofrio
authors: O
authors: Schifanella
authors: Alessandra
authors: A
authors: Roncaglioni
authors: Emilio
authors: E
authors: Benfenati
mesh_terms: D000826:Animal Testing Alternatives / Q000331:legislation & jurisprudence*; D015197:Carcinogenicity Tests; D002273:Carcinogens / Q000633:toxicity*; D003198:Computer Simulation; D005062:European Union; D008954:Models, Biological; D008956:Models, Chemical; D021281:Quantitative Structure-Activity Relationship
chemical_list: D002273:Carcinogens