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Increase of efficiency of QSAR — the analysis of carcinogenic activity of halogeneted hydrocarbons
- Authors: Tarasov A.V1, Abilev S.K1, Velibekov R.M1, Tarasov V.A1
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Affiliations:
- N.I. Vavilov Institute of General Genetics RAS, Moscow, RF
- Issue: Vol 3, No 2 (2005)
- Pages: 5-14
- Section: Articles
- Submitted: 14.11.2016
- Published: 15.06.2005
- URL: https://journals.eco-vector.com/ecolgenet/article/view/5509
- DOI: https://doi.org/10.17816/ecogen325-14
- ID: 5509
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Abstract
The new principle of analysis of structureactivity of carcinogenic compounds is offered. It is basis on use a compound structural descriptors representing a combination untied among themselves of structural fragments of a molecule. The computer program is developed, allowing to generate every possible structural fragments of molecules of chemical compounds and their combinations and to carry out selection of the compound descriptors statistically significantly influencing their biological activity. In work it is used the samples consisting of 89 halogeneted hydrocarbons for which their carcinogenic activity on rodents is investigated.
About the authors
Aleksey V Tarasov
N.I. Vavilov Institute of General Genetics RAS, Moscow, RF
Serikbay K Abilev
N.I. Vavilov Institute of General Genetics RAS, Moscow, RF
Email: serikbai@mail.ru
Ramis M Velibekov
N.I. Vavilov Institute of General Genetics RAS, Moscow, RF
Valentin A Tarasov
N.I. Vavilov Institute of General Genetics RAS, Moscow, RF
Email: vat.vigg@mail.ru
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