EXPERIMENTAL AND THEORETICAL APPROACHES TO THE CREATION OF COMPUTER PROGRAM FOR VIRTUAL SCREENING OF SCAVENGERS NO IN A RANGE OF AZAGETEROCYCLES
Keywords:virtual screening, descriptors, antioxidant activity
The creation of computer programs for virtual screening is an urgent task for modern pharmacology and medicine. The article shows some experimental and theoretical approaches to the creation of a computer program for virtual screening of scavengers NO in a range of azageterocycles. Methods for estimating antioxidant activity, quantum mechanical and statistical calculations are presented. Prospects and advantages of computer simulation of the activity of compounds are considered.
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