Integration of QSAR and SAR methods for the mechanistic interpretation of predictive models for carcinogenicity

Integration of QSAR and SAR methods for the mechanistic interpretation of predictive models for carcinogenicity

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The knowledge-based Toxtree expert system (SAR approach) was integrated with the statistically based counter propagation artificial neural network (CP ANN) model (QSAR approach) to contribute to a better mechanistic understanding of a carcinogenicity model for non-congeneric chemicals using Dragon d...

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Bibliographic Details
Main Authors: Natalja Fjodorova, Marjana Novič
Format: Article
Language:English
Published: Elsevier 2012-07-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Counter propagation artificial neural network
mechanistic interpretation of model
carcinogenicity
(quantitative) structure-activity relationships
structural alerts
Toxtree application
Dragon descriptors Kohonen maps
non-congeneric chemicals
Online Access:http://journals.sfu.ca/rncsb/index.php/csbj/article/view/csbj.201207003

Internet

http://journals.sfu.ca/rncsb/index.php/csbj/article/view/csbj.201207003

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