Kovalishyn V. Prediction of biological activity of compounds on the base of 3D structure by artificial neural networks

Українська версія

Thesis for the degree of Candidate of Sciences (CSc)

State registration number

0401U003241

Thesis Registration Form

0401U003241.pdf

Applicant for

Specialization

  • 02.00.10 - Біоорганічна хімія

30-11-2001

Specialized Academic Board

Д26.220.01

Essay

Physiologically active compounds. Creation of a new method of computer forecasting of physiological activity of substances proceeding from their spatial structure. Computer modeling, quantum-mechanical accounts, mathematical statistics. The computer expert system is developed on the basis of a method artificial neural networks, which allows to analyze the most relevant data. The program allowing to build and visually to analyze of a card of distribution of active zones around of molecules is created. Sphere of use - bioorganic chemistry, pharmacology.

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