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Rodent Carcinogenicity Dataset
Joint Authors
Novič, Marjana
Fjodorova, Natalja
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-01-17
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
The rodent carcinogenicity dataset was compiled from the Carcinogenic Potency Database (CPDBAS) and was applied for the classification of quantitative structure-activity relationship (QSAR) models for the prediction of carcinogenicity based on the counter-propagation artificial neural network (CP ANN) algorithm.
The models were developed within EU-funded project CAESAR for regulatory use.
The dataset contains the following information: common information about chemicals (ID, chemical name, and their CASRN), molecular structure information (SDF files and SMILES), and carcinogenic (toxicological) properties information: carcinogenic potency (TD50_Rat_mg; carcinogen/noncarcinogen) and structural alert (SA) for carcinogenicity based on mechanistic data.
Molecular structure information was used to get chemometrics information to calculate molecular descriptors (254 MDL and 784 Dragon descriptors), which were further used in predictive QSAR modeling.
The dataset presented in the paper can be used in future research in oncology, ecology, or chemicals' risk assessment.
American Psychological Association (APA)
Fjodorova, Natalja& Novič, Marjana. 2013. Rodent Carcinogenicity Dataset. Dataset Papers in Medicine،Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-465913
Modern Language Association (MLA)
Fjodorova, Natalja& Novič, Marjana. Rodent Carcinogenicity Dataset. Dataset Papers in Medicine No. 2013 (2013), pp.1-6.
https://search.emarefa.net/detail/BIM-465913
American Medical Association (AMA)
Fjodorova, Natalja& Novič, Marjana. Rodent Carcinogenicity Dataset. Dataset Papers in Medicine. 2013. Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-465913
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-465913