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COMPUTER FORECASTING AND EXPERIMENTAL VALIDATION OF ANTIAGGREGATE PROPERTIES OF CETRINE, GLURENORM, MOEX AND DILTHIAZEM

Abstract

A new algorithm and 'Drug' database, permitting to predict new actions of familiar medical products, are developed and registered. The algorithm is based on comparison of a set of quantum-chemical and geometrical descriptors of molecules through multivariate statistics. The algorithm output for four drugs – cetrine (cetirizine), glurenorm (glividon) , moex (moexipril) and dilthiazem (diltiazem) – was tested through practice.

About the Author

Nikolay P. Votintsev
Pyatigorsk State Pharmaceutical Academy
Russian Federation


References

1. RDKit: Cheminformatics and Machine Learning Software. [Electron. resource]. – Mode of access: http://rdkit.sourceforge.net/ (data obrascheniya: 20.01.11).

2. The checkmol/matchmol Homepage. [Electron. resource]. – Mode of access: http:// merian.pch.univie.ac.at/~nhaider/cheminf/cmmm.html (data obrascheniya: 20.01.11).

3. Open Babel: The Open Source Chemistry Toolbox. [Electron. resource]. – Mode of access: http://openbabel.org/ (data obrascheniya: 20.01.11).

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Review

For citations:


Votintsev N.P. COMPUTER FORECASTING AND EXPERIMENTAL VALIDATION OF ANTIAGGREGATE PROPERTIES OF CETRINE, GLURENORM, MOEX AND DILTHIAZEM. Vestnik of Don State Technical University. 2011;11(2):288-290. (In Russ.)

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ISSN 2687-1653 (Online)