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Chemosphere ; 120: 492-9, 2015 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-25278177

RESUMO

The randomly selected set of 558 chemicals from Cosmetic inventory was studied with internet accessible program package CAESAR. Four toxic endpoints were considered: mutagenicity, carcinogenicity, developmental toxicity and skin sensitization. The CAESAR program provides beside the predictions comprehensive information on applicability domain and the similarity between the considered compound and the compounds from model's training set. This information was used to implement for clustering and classification of chemicals. As the technique the Self Organizing Maps was applied. This technique also enables us to define to each cluster the cluster indicator, i.e., the characteristic compound, which is considered as a representative for a cluster.


Assuntos
Cosméticos/classificação , Cosméticos/toxicidade , Modelos Teóricos , Carcinógenos/classificação , Carcinógenos/toxicidade , Crescimento e Desenvolvimento/efeitos dos fármacos , Haptenos/classificação , Haptenos/toxicidade , Humanos , Mutagênicos/classificação , Mutagênicos/toxicidade
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