title: Neural network approach to the prediction of the toxicity of benzothiazolium salts from molecular structure.
abstract: The prediction of the toxicity of benzothiazolium salts calculated by the neural network model is presented. The results are comparable with the previous calculations based on the Free--Wilson additivity model. The method of calculation of activity contributions of substituents is described.
authors.affiliation: Faculty of Natural Sciences, Comenius University, Bratislava, Slovakia.
authors.forename: S
authors.initials: S
authors.lastname: Hatrík
authors.forename: P
authors.initials: P
authors.lastname: Zahradník
mesh_terms: D000818:Animals; D005056:Euglena gracilis / Q000187:drug effects; D008956:Models, Chemical; D015394:Molecular Structure; D016571:Neural Networks, Computer; D013329:Structure-Activity Relationship; D013844:Thiazoles / Q000737:chemistry* / Q000633:toxicity*
chemical_list: D013844:Thiazoles