A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models

Author:

Dimitrov Sabcho1,Dimitrova Gergana1,Pavlov Todor1,Dimitrova Nadezhda1,Patlewicz Grace1,Niemela Jay1,Mekenyan Ovanes1

Affiliation:

1. Laboratory of Mathematical Chemistry, University “Prof. As. Zlatarov”, 8010 Bourgas, Bulgaria, Safety and Environmental Assurance Centre (SEAC), Unilever Colworth, Sharnbrook, Bedford MK44 1LQUK, United Kingdom, and Danish Institute for Food and Veterinary Research, 19 Mørkhøj Bygade, DK-2860 Søborg, Denmark

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Reference27 articles.

1. Balci, O. Verification, Validation, and Accreditation. InProceedings of the1998 Winter Simulation Conference, Dec 13−16, 1998; Mdeiros, D. J., Carson, J. S., Manivannan, M. S., Eds.; IEEE:  New York, 1999; pp 51−48.

2. Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.

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