In silico methods for carcinogenicity assessment

Azadi Golbamaki, Emilio Benfenati

Research output: Chapter in Book/Report/Conference proceedingChapter

Abstract

Screening compounds for potential carcinogenicity is of major importance for prevention of environmentally induced cancers. A large sequence of alternative predictive models, ranging from short-term biological assays (e.g. mutagenicity tests) to theoretical models, have been attempted in this field. Theoretical approaches such as (Q)SAR are highly desirable for identifying carcinogens, since they actively promote the replacement, reduction, and refinement of animal tests. This chapter reports and describes some of the most noted (Q)SAR models based on the human expert knowledge and statistically approach, aiming at predicting the carcinogenicity of chemicals. Additionally, the performance of the selected models has been evaluated and the results are interpreted in details by applying these prediction models to some pharmaceutical molecules.

Original languageEnglish
Title of host publicationMethods in Molecular Biology
PublisherHumana Press Inc.
Pages107-119
Number of pages13
Volume1425
DOIs
Publication statusPublished - 2016

Publication series

NameMethods in Molecular Biology
Volume1425
ISSN (Print)10643745

Keywords

  • Applicability domain index
  • Carcinogenicity
  • Genotoxicity
  • In silico
  • Non-genotoxicity
  • QSAR
  • SARpy
  • Structural alerts
  • Toxtree

ASJC Scopus subject areas

  • Molecular Biology
  • Genetics

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