title: Hierarchical Rules for Read-Across and In Silico Models of Mutagenicity.
abstract: A broad set of rules has been implemented within the ToxRead software for read-across of chemicals for bacterial mutagenicity. These rules were obtained by manually analyzing more than 6000 chemicals and the associated chemical classes. A hierarchy of rules was established to identify those most specifically relating to the target compounds, linked in sequence to the other, more generic ones, which may match with the target compound. Rules related to both mutagenicity and lack of mutagenicity were found. Some of the latter are exceptions to the mutagenicity rules, while others are modulators of activity. These rules can also be used to predict mutagenicity, offering good performance.
authors.affiliation: a IRCCS-Istituto di Ricerche Farmacologiche 'Mario Negri,' Department of Environmental Health Sciences , Milan , Italy.
authors.forename: Emilio
authors.initials: E
authors.lastname: Benfenati
authors.affiliation: a IRCCS-Istituto di Ricerche Farmacologiche 'Mario Negri,' Department of Environmental Health Sciences , Milan , Italy.
authors.forename: Serena
authors.initials: S
authors.lastname: Manganelli
authors.affiliation: a IRCCS-Istituto di Ricerche Farmacologiche 'Mario Negri,' Department of Environmental Health Sciences , Milan , Italy.
authors.forename: Sabrina
authors.initials: S
authors.lastname: Giordano
authors.affiliation: a IRCCS-Istituto di Ricerche Farmacologiche 'Mario Negri,' Department of Environmental Health Sciences , Milan , Italy.
authors.forename: Giuseppa
authors.initials: G
authors.lastname: Raitano
authors.affiliation: a IRCCS-Istituto di Ricerche Farmacologiche 'Mario Negri,' Department of Environmental Health Sciences , Milan , Italy.
authors.forename: Alberto
authors.initials: A
authors.lastname: Manganaro
mesh_terms: D000465:Algorithms; D003198:Computer Simulation; D009153:Mutagens / Q000737:chemistry*; D009154:Mutation; D012984:Software
chemical_list: D009153:Mutagens
keywords: REACH regulation; mutagenicity; read-across; structural alerts