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://www.sciencedirect.com/science/article/pii/S2001037014601008

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http://www.sciencedirect.com/science/article/pii/S2001037014601008

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